Molden Users

The following people use or have used Molden:
(List no longer updated).


Name: Mariusz Klobukowski
Department: Department of Chemistry
Organisation: University of Alberta
E-Mail: mariusz@qc.chem.ualberta.ca
Comments: visualization of results from Gaussian 92 and 94
Computer System: SUN Sparc (Solaris 2.4); RS/6000 m. 590 (aix 3.2)


Name: Roland Janke
Department: Organisch-Chemisches Institut
Organisation: Westfaelische Wilhelms-Universitaet Muenster
E-Mail: janker@uni-muenster.de
Comments: - MOPAC- Gaussian (in case of GAUSSIAN 94 I was only able to load input files !)- I would like to use molden on LINUX, but I had no succes to compile Did you heard about a running LINUX-MOLDEN-version?We like molden !Greetings, Roland
Computer System: AIX


Name: Hillary S. R. Gilson
Department: Biotechnology division
Organisation: NIST/CARB National Institute of Standards and Technology/ Center for Advanced Research in Biotechnology
E-Mail: hillary@indigo15.carb.nist.gov
Comments: We use Molden to examine output from quantumcalculations generated by gaussian and gammes.We greatly appreciate use of this program.
Computer System: SGI INDIGO 2


Name: Bruce A. Luxon
Department: Sealy Center for Structural Biology
Organisation: University of Texas Medical Branch
E-Mail: bruce@nmr.utmb.edu
Comments: Visual G94 calculations on biomolecular modelsystems
Computer System: Silicon Graphics Indigo2 R4400 Extreme


Name: Achim Kless
Department: AG Asymmetrische Katalyse
Organisation: Max-Planck-Gesellschaft
E-Mail: nfc015@cks1.rz.uni-rostock.de
Comments: Output/Input Gaussian 92/94
Computer System: IBM RS/6000 Mod.250 64MB/6GB


Name: Kurt Glaesemann
Department: Chemistry
Organisation: Iowa State University
E-Mail: kurt@si.fi.ameslab.gov
Comments: To visualize molecular orbitals and electron densities of molecules.
Computer System: RS/6000, SGI, AXP


Name: Steven D. Bennett
Department: Department of Chemistry
Organisation: University of Delaware
E-Mail: sbennett@wotan.duch.udel.edu
Comments: Visualization of GAMESS and Gaussian output
Computer System: SGI


Name: Dr. Jim Briggs
Department: Department of Chemistry
Organisation: University of California, San Diego
E-Mail: jmbriggs@ucsd.edu
Comments: To view molecular densities of molecules computed withthe Gaussian program
Computer System: SGI


Name: Martijn Wehrens
Department: Theoretische Chemie
Organisation: Universiteit Utrecht
E-Mail: m.g.d.wehrens@chem.ruu.nl
Comments: Gewoon eens even kijken wat het is.Het lijkt me BIJZONDER handig.Vooral ook de Z-Mat editor. Daardoor zullen studenten hier wel geholpen kunneworden.Probleem: niet zo heel erg stabiel...
Computer System: SGI irix 5.2


Name: Cristian Gabriel Sanchez
Department: Departamento de Fiscoquimica
Organisation: Universidad Nacional de Cordoba - Facultad de Ciencias Quimicas
E-Mail: csanchez@fisquim.uncor.edu
Comments: Visualization of GAMESS output.
Computer System: Linux


Name: Ungsik Yu
Department: Supercomputing Applications
Organisation: Samsung Adv. Inst. Tech.
E-Mail: ungsik@radon.sait.samsung.co.kr
Comments:
Computer System: SGI


Name: Jai K. Shin
Department: Department of Supercomputer Applications
Organisation: Samsung Advanced Institute of Technology
E-Mail: jkshin@neon.sait.samsung.co.kr
Comments:
Computer System:


Name: Jose Manuel Martinez Fernandez
Department: Physical Chemistry
Organisation: University of Sevilla
E-Mail: jmmartin@cica.es; josema@mozart.us.es
Comments: display gaussian94 outputs
Computer System: HP-UX, linux


Name: Fredrik Boekman
Department: Dept of Organic Chemistry
Organisation: Uppsala University
E-Mail: fredrik@donau.kemi.uu.se
Comments: View of Gamess(US) and Gaussian92 output,haven't tested yet.
Computer System: DEC alpha 300


Name: Viktor Pilepic
Department: Physical Chemistry Departement
Organisation: Faculty of Pharmacy and Biochemistry
E-Mail: viktor@nana.pharma.hr
Comments: Visualization of calculated orbitals.
Computer System: DEC Ultrix


Name: Jaime E. Combariza
Department: Cneter for Computing and Information Technology
Organisation: University of Arizona
E-Mail: jaimeco@arizona.edu
Comments: I will use Molden to plot density diferences as well as MO plots.Will find more as sson as I get hte documentation
Computer System: Unix


Name: Karl Irikura
Department: Chemical Kinetics & Thermodynamics Division
Organisation: National Institute of Standards & Technology
E-Mail: irikura@enh.nist.gov
Comments: viewing MOs from Gaussian, GAMESS-US
Computer System: IBM RS/6000 AIX


Name: Bettina Granzow
Department:
Organisation:
E-Mail: granzow@unileoben.ac.at
Comments: Visualization of GAMESS US- output and animation of molecular vibrations
Computer System:


Name: Tetsuyoshi Takeshita
Department: Electronics and Information Engineering
Organisation: Ishikawa National College of Technology
E-Mail: ttake@i.ishikawa-nct.ac.jp
Comments: Many thanks.
Computer System: Sun SunOS4.1.3


Name: Permi Perttu
Department: Department of Chemistry, structural chemistry section
Organisation: University of Oulu
E-Mail: ppermi@ernst.oulu.fi
Comments: I think it is good that I can look results from gamess output with graphical interface. I'm doing my miniprojectand I have visualized my molecule with yuor program.I have only tested the program for couple of hours butI think it is really nice.
Computer System: Intel Pentium PC running Linux 1.2.13


Name: Pedro A M Vazquez
Department: Fisico Quimica
Organisation: Instituto de Quimica - Universidade Estadual de Campinas
E-Mail: vazquez@iqm.unicamp.br
Comments: To teach graduate and undergraduate coursesand to do research
Computer System: Pentium100 running FreeBSD


Name: Heribert Adamsky
Department: Institut fer Theoretische hemie
Organisation: Heinrich-Heine-Universitaet Duesseldorf
E-Mail: heribert@theochem.uni-duesseldof.de
Comments: Structure and orbital plots of transition metalcomplexes, animation of normal coordinates.Generation of Z matrix input (a very useful featureof Molden!). I use Molden in combination with the US version of GAMESS and as a stand alone Generator of Molecular Structures. I run it alsoon my Linux machine.
Computer System: Solaris


Name: Dr. Daniel L. Severance
Department: R6W-002
Organisation: Roche Bioscience
E-Mail: dan@sage.syntex.com
Comments: I would like to use to to view GAMESS and G94 outputof densities and density differences.I've not downloaded it since you specify non-profit.I don't have too much use for ab initio here at Rocheexcept for personal research, but I still don't qualifyas non-profit.
Computer System: SGI


Name: H.J.J. van Dam
Department: Scheikunde, Universiteit Utrecht
Organisation: Vakgroep Theoretische Chemie
E-Mail: h.j.j.vandam@chem.ruu.nl
Comments: Inspecteren van Z-matrices
Computer System: Silicon Graphics


Name: Toshimasa Ishida
Department: Chemistry, Ex-Fac. Liberal Arts
Organisation: Shizuoka University
E-Mail: ishida-t@la.shizuoka.ac.jp
Comments: I appreciate the effort of developing your excelent program system MOLDEN.I am planing to use the output of MOLDEN as a part of my Homepage,and linking MOLDEN homepage. Thank you.
Computer System: HP9000 715/33


Name: Julius Su
Department: Department of Chemical Physics
Organisation: California Institute of Techology
E-Mail: jsu@cco.caltech.edu
Comments: Visualization of molecular orbitals and electrostaticpotential surfaces.
Computer System: Pentium system


Name: Michael Hartmann
Department: Computer-Chemie-Centrum
Organisation: Univ. Erlangen-Nuernberg
E-Mail: hartmann@ccc.uni-erlangen.de
Comments: viewing Gaussian94, MOPAC and VAMP outputs andcreating inputs for these programs
Computer System: Linux and Unix


Name: Jochen Buehler
Department: Faculty in Chemistry
Organisation: University of Konstanz
E-Mail: buehler@chclu.chemie.uni-konstanz.de
Comments: Visualize orbitals from Gaussian94 runs
Computer System: Linux


Name: M. Edward Grice
Department: Chemistry
Organisation: University of New Orleans
E-Mail: megcm@uno.edu
Comments: Molden will be used mainly for viewing electrondensities calculated by Gaussian 94.
Computer System: IBM RS/6000 AIX 3.2.5


Name: Wolfgang Roth
Department: Institut fuer Phzsikalische Chemie und Elektrochemie I
Organisation: Heinrich-Heine-Universitaet
E-Mail: rothw@uni-duesseldorf.de
Comments: animation of Gaussian 92 and 94 normal vibrations of large molecules.Currently unsing Molden 2.7 from Your FTP-server.The tarfile of version 2.8 seems to be corrupt!Yours Wolfgang Roth
Computer System: UNIX (SGI)


Name: Artem Masunov
Department: Chemistry Department
Organisation: Hunter College
E-Mail: amasunov@shiva.hunter.cuny.edu
Comments: Gaussian94 vibrations animation
Computer System: IBM RS6000


Name: Yuji Miyahara
Department: Department of Chemistry, Faculty of Science
Organisation: Kyushu University
E-Mail: miyahscc@mbox.nc.kyushu-u.ac.jp
Comments: Analysis of MOPAC and Gaussian results to design and analize cyclophanes and other unnatural compounds
Computer System: Indigo 2


Name: Toshiyuki Hata
Department: Department of Knowledge-Based Information Enginnering
Organisation: Toyohashi University of Technology
E-Mail: hata@cochem2.tutkie.tut.ac.jp
Comments: Research for Fullerene
Computer System: Linux


Name: Thomas Steinke
Department: High Performance Computer Center
Organisation: Konrad-Zuse-Zentrum Berlin (ZIB)
E-Mail: Steinke@ZIB-Berlin.DE
Comments: Interface to GAMESS-UK, GAMESS-US
Computer System: SGI PowerIndigo^2


Name: Seiji Mori
Department: Department of Chemistry
Organisation: University of Tokyo
E-Mail: smori@utsc.s.u-tokyo.ac.jp
Comments: visualization of electorn density and MOswith ab initio calculation.
Computer System: IBM RS/6000 320


Name: Bih-Yaw Jin
Department: Dept. of Chemistry
Organisation: National Taiwan University
E-Mail: jin@hydrogen.ch.ntu.edu.tw
Comments: To view the electronic structure of molecule
Computer System: DECalpha


Name: ANGYAN Janos
Department: Laboratoire de Chimie theorique
Organisation: Universite Henri POincare
E-Mail: angyan@lctn.u-nancy.fr
Comments: Educational purposes (graduate course on Molecular Modeling). Analysis of Gaussian results.
Computer System: IBM - RS6000


Name: Rohit Batra
Department: Chemistry
Organisation: St. Johanns Ring 19
E-Mail: batra@anne.chemie.unibas.ch
Comments:
Computer System: RS600


Name: Carlos P. Sosa
Department: Chemical Applications
Organisation: Cray Research Inc
E-Mail: cpsosa@cray.com
Comments: Display Gaussian 94, molecules, orbitals etc.
Computer System: SGI Indigo


Name: Daniel Lawson
Department: Chemistry
Organisation: Michigan State University
E-Mail: lawson@bohr.cem.msu.edu
Comments: Visualization of electronic structure and vibrational modes of small molecules. Gaussianand GAMESS_US.
Computer System: SGI/LINUX


Name: Steen Hammerum
Department: Department of Chemistry
Organisation: University of Copenhagen
E-Mail: steen@kiku.dk
Comments: To visualize the results of Gaussian 92/94calculations
Computer System: HP-UX/9.0, IRIX6.1


Name: MUGUET Francis
Department: L.O.A
Organisation: E.N.S.T.A - Ecole Polytechnique
E-Mail: muguet@enstay.ensta.fr
Comments: I am going to test and try MOLDEN to visualize MOs computed with GAMESS. I got your adress from a msg in the computationalchemistry list, telling your program was "the best". Regards Francis
Computer System: Linux


Name: Sulev Sild
Department: Department of Chemistry
Organisation: University of Tartu
E-Mail: sul@chem.ut.ee
Comments: I use it for visualizing output from g94 and gamess. And its z-matrix editor is useful tool for creating input files for them.
Computer System: rs6000 with AIX 3.2.5


Name: Hamish H. Wynn
Department: Oxford University
Organisation: Inorganic Chemistry Laboratory
E-Mail: hamish.wynn@icl.ox.ac.uk
Comments: Isometric projections of MO's, mainly of Organometallic compounds
Computer System: SG Indigo2 and Linux


Name: Christian Boehme
Department: FB Chemie
Organisation: Philipps Universitdt Marburg
E-Mail: boehmec@mailer.uni-marburg.de
Comments: We are calculating transition metal complexes. Using our own code we calculate electron donationand backdonation and which orbitals contributeto them. We want to visualize these orbitals.
Computer System: AIX (maybe LINUX)


Name: Takatoshi Senju
Department: Chemistry
Organisation: The University of Tokyo
E-Mail: senju@selen.c.u-tokyo.ac.jp
Comments: To display electron density contour map.
Computer System: Sun Sparcstation (SunOS4.1.3)


Name: Andreas Eggenschwiler
Department: Chemistry
Organisation: Swiss Federal Institute (ETH) Zurich
E-Mail: res@inorg.chem.ethz.ch
Comments: Visualisation of reaction pathways of biologicallyrelevan molecules
Computer System: Irix 5.3


Name: Dariusz C. Bienko
Department: Institute of Inorganic Chemistry and Metallurgy of Rare Elements
Organisation: Technical University of Wroclaw
E-Mail: darek@ichn.ch.pwr.wroc.pl
Comments: I am going to use Molden for visualization of gaussian frequencies
Computer System: ibm sp2


Name: Prof. Kirk A. Peterson
Department: Department of Chemistry
Organisation: Washington State University
E-Mail: ka_peterson@pnl.gov
Comments: Primarily to visualize normal mode frequenciesoutput from Gaussian. Thanks! Works great.
Computer System: RS/6000 3BT (AIX)


Name: Zheng Shi
Department: Simon Fraser University
Organisation: Department of Chemistry
E-Mail: zshi@sfu.ca
Comments: Research
Computer System: SGI


Name: Anthony D. DeBellis
Department: Research
Organisation: Ciba Geigy Corp - Additives Division
E-Mail: anthony.debellis@usar.mhs.ciba.com
Comments: Visualization of Gamess output
Computer System: RS/6K 37T


Name: Harsono Simka
Department: Chemical Engineering
Organisation: MIT
E-Mail: hsimka@mit.edu
Comments: Checking Gaussian outputs and modes
Computer System: AIX


Name: Paul Lyne
Department: Chemistry
Organisation: Harvard University
E-Mail: paul@tammy.harvard.edu
Comments:
Computer System: sgi, dec-alpha, hp


Name: David E. Reichert
Department: Radiological Science
Organisation: Washington University School of Medicine
E-Mail: david@scoobie.wustl.edu
Comments: analyzing GAMESS output
Computer System: Silicon Graphics Indigo2


Name: Filippo Bruge'
Department:
Organisation: CNR-IAIF
E-Mail: fil@risc2.iaif.pa.cnr.it
Comments:
Computer System: IBM Risc 6000/520 , DEC 3000/400


Name: GONDET
Department: USER SUPPORT
Organisation: IDRIS/CNRS
E-Mail: gondet@idris.fr, teuler@idris.fr
Comments: to visualize G94 ouput, normal modes may be animation
Computer System: RS6000 sure / SGI may be


Name: Per Arvidsson
Department: Dep. Organic Chemistry
Organisation: Goteborg University
E-Mail: arvid@oc.chalmers.se
Comments: I will use it for visualization of G94 output.
Computer System: SGI Indy


Name: Working Group of Prof. Ernst Walter Knapp
Department: Institut fuer Kristallographie
Organisation: Freie Universitaet Berlin
E-Mail: melchers@FU-Berlin.DE
Comments: View Gaussian output, animate normal modes
Computer System: irix5.3, irix6.1, linux 1.2.13


Name: Craig Wilson
Department: Chemistry Department
Organisation: University of Warwick
E-Mail: C.Wilson@warwick.ac.uk
Comments: For the vizualization of normal modes (and occasionally electron denisties) from the outputof GAUSSIAN 94 calculations on various species ofinterest in atmospheric chemistry
Computer System: Silicon Graphics Elan IRIX 5.2


Name: Cezary Czaplewski
Department: Faculty of Chemistry
Organisation: University of Gdansk
E-Mail: czarek@sun1.chem.univ.gda.pl
Comments: academic research (non profit)
Computer System: IMB RS/6000 42T


Name: Marc Heinrich Prosenc
Department: Fak. f. Chemie
Organisation: Universitaet Konstanz
E-Mail: Prosenc@dg5.chemie.uni-konstanz.de
Comments: test- read gaussian output
Computer System: IRIX/OSF1 ...


Name: Takanori Kanazawa
Department: International Research Laboratories
Organisation: Ciba-Geigy Japan, Ltd
E-Mail: takanori.kanazawa@jpta.mhs.ciba.com
Comments:
Computer System: SGI indigo2/R4400(175MHz)


Name: Dr. Klaus Schoffel
Department: Catalysis and Reactor Technology
Organisation: Norsk Hydro
E-Mail: Klaus.Schoffel@hre.hydro.com
Comments: Visualization of GAMESS-UK output
Computer System: SGI R8000


Name: Dr. Guillermo A. Suner
Department: Departament de Quimica
Organisation: Universitat de les Illes Balears
E-Mail: guillem@gauss.uib.es
Comments: Intended for electronic density of organometallics
Computer System: DEC Alpha 3000/700


Name: Arlen Viste
Department: Department of Chemistry
Organisation: Augustana College
E-Mail: viste@inst.augie.edu
Comments: I am just getting started, but hope to use itto visualize Gaussian 94 output, as wellas structures (e.g. PDB files).
Computer System: IBM RS/6000, X windows


Name: Joshua Wang
Department: Physics Department
Organisation: City College of New York
E-Mail: jhwang@scisun.sci.ccny.cuny.edu
Comments: Visualize the normal modes from Gaussianoutput files.
Computer System: SGI


Name: Dr. SECCHI MICHELE
Department: ORGANIC CHEMISTRY
Organisation: UNIVERSITY OF FLORENCE
E-Mail: guest@chimorg.unifi.it
Comments: Good interface for read the output files of GAMESS-US
Computer System: IBM RS/6000 AIX 3.2.5


Name: V. Mohan
Department: Medicinal Chemistry
Organisation: ISIS Pharmaceuticals
E-Mail: vmohan@isisph.com
Comments: Normal mode animation of Gaussian output files
Computer System: SGI Crimson


Name: meng, baoqi
Department: chem eng
Organisation: ucsb, california
E-Mail: meng@squid.ucsb.edu
Comments: i am doing some calculations using ab inito md code.i want to use this program to view the vibrational mode from the eigen vector i got by diagonalize the hessian matrix. i don;t know whether your program can do this. if not, would you please point me to some other program that can do this. thanks.
Computer System:


Name: Juanjo Lozano
Department: Medical Informatics
Organisation: IMIM-UAB
E-Mail: jlozano@apolo.imim.es
Comments: representation of MEP
Computer System: sgi and linux


Name: Ms. Alicia Martinez
Department: Chemistry
Organisation: CESCA
E-Mail: amartinez@cesca.es
Comments: We lacked a GOOD visualization tool for MOPAC.
Computer System: SGI Indy


Name: Michael R. Zachariah
Department: Reacting Flows Group
Organisation: NIST
E-Mail: mrz@tiber.nist.gov
Comments:
Computer System: SGI


Name: Dr. Ulrich Schmitt
Department: Lab. Phys. Chemistry
Organisation: ETH Zurich
E-Mail: schmitt@ir.phys.chem.ethz.ch
Comments:
Computer System: DEC Alpha AXP/OpenVMS


Name: Dr. Johannes Grotendorst
Department: Central Institute for Applied Mathematics (ZAM)
Organisation: Research Center Juelich
E-Mail: j.grotendorst@kfa-juelich.de
Comments: Graphical front end for GAMESS-US, Gaussian andMopac.
Computer System: IBM 42T with AIX 4.1.2


Name: Perry Keller
Department: Self
Organisation: Self
E-Mail: perry@col.hp.com
Comments: I am exploring chemistry for my own personallearning and am looking for software to helppredict reactions and visualize molecules.
Computer System: HP-UX 9.03 S700


Name: Robert Wilbrandt
Department: Environmental Science and Technology
Organisation: Risoe National Laboratory
E-Mail: wilbrandt@risoe.dk
Comments: Visualization of Gaussian output, editing Gaussian input for G94.Structures and vibrational spectra of short-livedchemical intermediates.
Computer System: SGI Indigo2 IRIX 5.2


Name: Kent Milfeld
Department: Chemistry Department
Organisation: University of Texas
E-Mail: milfeld@hpcf.cc.utexas.edu
Comments: Computation Chemistry Class
Computer System: Sun


Name: Jochen Heyd
Department: Chemistry
Organisation: University of Zürich
E-Mail: jheyd@oci.unizh.ch
Comments: Viewing structures and vibrations from G94 and Gamess-US runs
Computer System: Linux and Irix


Name: Jyh-Shyong Ho
Department: Research and Service Division, Chemistry group
Organisation: National Center for High-Performance Computing
E-Mail: c00jsh00@nchc.gov.tw
Comments: visualization of quantum chemistry computation results
Computer System: SGI PowerChallenge


Name: Jee Hwan Jang
Department: Molecular Modeling
Organisation: Kumho Chemical Laboratory
E-Mail: jang@camd1.kkpcr.re.kr
Comments: For processing of Gaussian output on my research.
Computer System: SGI Power Indigo 2 ( R8000 )


Name: Nick Nystrom
Department:
Organisation: Pittsburgh Supercomputing Center
E-Mail: nystrom@psc.edu
Comments: Visualization for research as well as demo preparation
Computer System: UNICOS, IRIX, AXP, Ultrix


Name: Ruben Santamaria
Department: Fisica Teorica
Organisation: Instituto de Fisica, UNAM
E-Mail: rso@ifunam.ifisicacu.unam.mx
Comments: I'd like to use Molden mainly for visualizationand straightforward analysis of results
Computer System: Dec-Alpha/OSF1


Name: Jesus Ugalde
Department: Polimeroen Zientzia Teknologia
Organisation: Euskal Herriko Univertsitatea
E-Mail: popugurj@sq.ehu.es
Comments: We do quantum calculations and we are planing to use it to visualize the orbitals, we just have installed it and we find great, congratulations!Dankjewel
Computer System: AIX IBM


Name: Jose Luis Andres
Department: Institute of Computational Chemistry, Dept. Chem.
Organisation: University of Girona
E-Mail: jluis@stark.udg.es
Comments: To plot electron densities and to see vibrational frequencies form either gaussian94 or gamess
Computer System: silicon graphics indy


Name: Bernd Wiedel
Department: Friedrich Schiller Universitaet Jena
Organisation: Institut fuer Organische Chemie
E-Mail: wiedel@al.bundy.uni-jena.de
Comments: G92/G94 and Mopac93
Computer System: HP735/125 & SGI Indy


Name: Kalju Kahn
Department: Biochemistry
Organisation: University of Missouri-Columbia
E-Mail: kahn@prancer.biochem.missouri.edu
Comments: Visualize molecular properties calculated with Gaussian or Mopac. Maybe vibrations
Computer System: SGI IRIS Indigo, IRIX 5.2


Name: Ewa Broclawik
Department: Institute of Catalysis
Organisation: Polish Academy of Sciences
E-Mail: broclawi@trurl.ch.uj.edu.pl
Comments: Theoretical modeling of catalytic centers and catalytic processes:display and elaboration of quantum chemical calculations for clustermodels of catalytic centers and reaction pathways.
Computer System: SGI Indigo 2


Name: Tsu-chien Weng
Department: Department of Chemistry
Organisation: National Taiwan University
E-Mail: david@helium.ch.ntu.edu.tw
Comments: visualize the vibration of normal mode
Computer System: DEC Alpha 3000/700


Name: STEVEN CREVE
Department: Chemistry / Lab. for Quantumchemistry
Organisation: KULeuven
E-Mail: steven.creve@chem.kuleuven.ac.be
Comments: I mainly use it for analysing Gaussian outputs (vibrations, structures and orbitals).
Computer System: IBM RS/6000


Name: Markus Oppel
Department: Institute for Theoretical Chemistry
Organisation: FU Berlin
E-Mail: oppel@chemie.fu-berlin.de
Comments: Viewing electron-density from ab-initio calculations
Computer System: Irix5.3


Name: Sang Joo, Lee
Department: Chemistry
Organisation: POSTECH, Korea
E-Mail: lsj@iris.postech.ac.kr
Comments: actually downloading molden now :(Thank you
Computer System: UNIX(AIX,IRIX,HP-UX,OSF1,SunOS,Linux,..), PC, MAC


Name: Kallies, Bernd
Department: Institut fuer Physikalische und Theoretische Chemie
Organisation: Universitaet Potsdam
E-Mail: kallies@serv.chem.uni-potsdam.de
Comments:
Computer System: AIX, IRIX


Name: Jochen Kuepper
Department: Institut fuer Physikalische Chemie I
Organisation: Heinrich-Heine-Universitaet
E-Mail: jochen@uni-duesseldorf.de
Comments: Viewing vibrations and orbitals of Gamesscalculations of organic molecules (actual indolekind of thing).
Computer System: Linux


Name: huesser peter
Department: physics
Organisation: university
E-Mail: huesser@spinsun1.physik.unizh.ch
Comments: data visualisation of gaussian output.
Computer System: aix 3.2.5


Name: Janusz Mrozek
Department: Dept. of Theoretical Chemistry
Organisation: Faculty of chemistry, Jagiellonian University
E-Mail: mrozek@cerebron.ch.uj.edu.pl
Comments: ANalysis of results from GAMESS and MOPAC runs
Computer System: DEC Alpha DEC Unix 3.2c


Name: Witko Malgorzata
Department: Institute of Catalysis
Organisation: Polish Academy of Sciences
E-Mail: witko@trurl.ch.uj.edu.pl
Comments: studies on catalytic reaction on transition metal oxides and metal surfaces
Computer System: RISC 6000: IBM3BT, IBM250, IBM25T


Name: Robert E. Connors
Department: Chemistry and Biochemistry
Organisation: Worcester Polytechnic Institute
E-Mail: rconnors@wpi.edu
Comments: View electron density etc.from G92 and MOPAC output.
Computer System: DEC-alpha


Name: Laszlo Nyulaszi
Department: Inorganic Chemistry
Organisation: Technical University of Budapest
E-Mail: nyulaszi@ch.bme.hu
Comments: plotting molecular orbitals and geometry from Gaussian 94
Computer System: irix 5.3


Name: Corr Reinhard Dr.
Department:
Organisation: RHRK (Regionales Hochschulrechenzentrum)
E-Mail: corr@rhrk.uni-kl.de
Comments: Building Z-matrix and visualization ofGaussian input and output.As I'm not the end user, I'm working inthe computer center and the end users areworking in the chemical institutes,they may use it for more than they told me.
Computer System: Silicon Graphic


Name: J.V. Ortiz
Department: Chemistry Department
Organisation: University of New Mexico
E-Mail: ortiz@nestor.unm.edu
Comments: MO and density plots, structure and normal moderepresentations
Computer System: ibm rs6000/350


Name: Rolf Trinoga
Department:
Organisation: Max-Planck-Institut fuer Strahlenchemie
E-Mail: trinoga@mpi-muelheim.mpg.de
Comments:
Computer System: Digital Alpha


Name: David Feller
Department:
Organisation: Pacific Northwest National Laboratory
E-Mail: d3e102@ames.pnl.gov
Comments:
Computer System: SGI and IBM


Name: Daniel E. Rodrigues
Department: Dpt. of Physics
Organisation: Fac. de Bioquimica y Cs. Biologicas, Univ. Nacional del Litoral
E-Mail: danielr@fbcb.unl.edu.ar
Comments: To visualize results of electronic structure calculation of molecules of biological interest (model systems) or clusters of inorganic surfaces.
Computer System: PC Pentium + Linux (Slackware 3.0, kernel 1.3.53)


Name: Paulo Sergio Pinto
Department: Math
Organisation: PNNL
E-Mail: psp_paulo@pnl.gov
Comments: I am studing new solutions that can help me to visualize molecules inside the WEB.
Computer System: Indigo


Name: Lohrenz
Department: Organisch-Chemisches Institut
Organisation: Universitaet Zuerich
E-Mail: lohrenz@oci.unizh.ch
Comments: I will try to built an interface for ADF
Computer System: AIX, IRIX


Name: Dietrich Bartel
Department: Zentralinstitut fuer Angewandte Mathematik - ZAM
Organisation: Forschungszentrum Juelich GmbH
E-Mail: d.bartel@kfa-juelich.de
Comments: I'm downloading your software for use by our scientists. Dr. Grotendorst has told me that he has spoken with you and we have your agreement.
Computer System:


Name: Marcie Olander
Department: Information Technologies
Organisation: Battelle
E-Mail: m_olander@pnl.gov
Comments: I'm installing Molden for chemists who claimMolden has some better features than XMol. Ifyou want specifics, send me email and I'll querythe chemists.Battelle is a non-profit organization registeredin Ohio.
Computer System: IRIX and Solaris


Name: Pierre Mothe´Esteves
Department: Organic Chemistry
Organisation: Universidade Federal do Rio de Janeiro
E-Mail: pierre@chopin.iq.ufrj.br
Comments: I use molden for my routine work using GAMESS inresearch on heterogeneous catalysis.
Computer System: SGI


Name: Adam Liwo
Department: Chemistry
Organisation: Cornell University
E-Mail: adam@scheraga1.chem.cornell.edu
Comments: Research on peptide-water potential.
Computer System: SGI (INDY)


Name: Rob Jenkins
Department: Chemistry
Organisation: Australian Defence Force Academy
E-Mail: jenr95@octarine.cc.adfa.oz.au
Comments: Visualisation of Molecular orbitals of small inorganic complexes
Computer System: AIX RS/6000


Name: Josep Maria Oliva
Department: Theoretical Chemistry
Organisation: University of Bristol
E-Mail: J.M.Oliva@bris.ac.uk
Comments: For Plotting Spin-Coupled orbitals (*), usinga modified output file from GAMESS-UK, asone of the input files in MOLDEN.(*) See for instance : JPC (1992), 96,7943 JACS (1994),116,2075
Computer System: IBM RISC/6000 / IBM PowerPC


Name: POUPLANA RAMON
Department: FARMACIA
Organisation: UNIVERSITY OF BARCELONA
E-Mail: ramon@iris.far.ub.es
Comments: MEPs representation
Computer System: Silicon


Name: Mihir Sejpal
Department: Physics and Astronomy
Organisation: University of Pennsylvania
E-Mail: mihir@sgimess.physics.upenn.edu
Comments: To view orbitals
Computer System: sgi


Name: Vidar R. Jensen
Department: Department of Chemistry
Organisation: University of Bergen
E-Mail: Vidar.Jensen@kj.uib.no
Comments: Visual inspection of results calculated using the Gaussian and GAMESS-US set of programs. I mostly work with organometallic systems and/or catalysis.
Computer System: AIX 4.1.2


Name: Tsan Lay
Department: Department of Chemistry
Organisation: New Jersey Institute of Technology
E-Mail: lay@tesla.njit.edu
Comments: Visulize mloecular structure and orbitals form ab inito calculations.
Computer System: DEC Alphastation (OSF UNIX)


Name: Baudilio TEJERINA
Department: Quimica Fisica y Analitica
Organisation: Universidad de Oviedo
E-Mail: bta@sauron.quimica.uniovi.es
Comments: Together with GAMESS(US), implementing some of its outputs graphically.
Computer System: DECAlpha(OpenVMS)


Name: KONAMI, Hideo
Department: Institute for Chemical Reaction Science
Organisation: Tohoku University
E-Mail: konami@brdsun.icrs.tohoku.ac.jp
Comments: Drawing MOs from outputs of Gaussian94 into postscript files.
Computer System: SunSparc10


Name: Dr Douglas Philp
Department: School of Chemistry
Organisation: University of Birmingham
E-Mail: d.philp@birmingham.ac.uk
Comments:
Computer System: Silicon Graphics IRIX 5.3/6.1


Name: Charles Sites
Department: Electrical Engineering
Organisation: University of Louisville
E-Mail: syschuck@cairo.spd.louisville.edu
Comments: We are using Molden as an Educational aid for undergraduate studies. Additionally as a viewer of GAMESS-US output.
Computer System: IRIX 5.3/6.1 Linux 1.3.3


Name: Yves DORY
Department: Chemistry
Organisation: University
E-Mail: ydory@aix1.si.usherb.ca
Comments: I use it to visualize GAMESS outputs.It would be very handy to have stereo displays (relaxed).This gives very attractive pictures and I intend to use them in publications.
Computer System: RISC and SP2


Name: Manuel Alcami
Department: Chemistry
Organisation: Universidad Autonoma de Madrid
E-Mail: alcami@idefix.qui.uam.es
Comments: Visualisation of Gaussian and Gamess outputs Maybe if a future for teaching puposes
Computer System: IBM-RISK 6000


Name: Darren Chapman
Department: Department of Chemistry
Organisation: University of York
E-Mail: chapman@rydberg.york.ac.uk
Comments: I use molden for displaying the results ofgeometry optimisations.
Computer System: IRIX 6.1


Name: Hisao ISHII
Department: Department of Chemistry, Faculty of Science
Organisation: Nagoya University
E-Mail: ishii@chem1.chem.nagoya-u.ac.jp
Comments: I am studying the electronic structure of functional organic material by phoroelectron spectroscopy.I use MOLDEN in order to visually analyze the output file of US-GAMESS.
Computer System: DEC AXP OSF/1


Name: Dr. Andrew Rohl
Department: School of Applied Chemistry
Organisation: Curtin University of Technology
E-Mail: andrew@power.curtin.edu.au
Comments: Looking at GAMESS calcs
Computer System: SGI


Name: Marek Sierka
Department: Quantum Chemistry Group at the Humboldt Univ.
Organisation: Max-Planck Society
E-Mail: mas@qc.ag-berlin.mpg.de
Comments: Visualization of data from Gaussian94, GAMESS-US.
Computer System: IBM, SGI


Name: Daniel T. Chang
Department: Chemistry and Biochemistry
Organisation: Texas Tech University
E-Mail: chang@aladdin.chem.ttu.edu
Comments: Visualization of electronic structure calculations -MO's, densities, etc. (research)
Computer System: OSF/1 (digital UNIX)


Name: Dr Roy L Johnston
Department: School of Chemistry
Organisation: University of Birmingham
E-Mail: r.l.johnston.che@bham.ac.uk
Comments: Plotting orbitals and electron densities for small molecules and clusters
Computer System: SGI Indy R4400


Name: Heather Gordon
Department: Department of Chemistry
Organisation: Queen's University
E-Mail: gordonh@chem.queensu.ca
Comments: viewing gaussian output
Computer System: IBM RS6000/550


Name: Joong-Youn Shim
Department: Toxicology
Organisation: US-EPA/UNC
E-Mail: shim@anion.herl.epa.gov
Comments: Reaction Path, normal mode analysis
Computer System: UNIX


Name: Antulio Tarazona
Department: Institute of Applied Physical Chemitry
Organisation: Research Centre Juelich
E-Mail: a.tarazona@kfa-juelich.de
Comments: Graphical Presentation of Gaussian results for my dissertation
Computer System: Linux


Name: Shabalin Kostya
Department: Molecular Biophysics
Organisation: Petersburg Nuclear Physics Institute
E-Mail: kostya@omrb.pnpi.ru
Comments: Use as a driver for GAMESS
Computer System: Linux on PC


Name: Junji TAKAHASHI
Department: Applied Chemistry
Organisation:
E-Mail: junji@qcl.t.u-tokyo.ac.jp
Comments: I would like to display orbitals of fullerenes stereoscopically.
Computer System: IBM RS/6000


Name: Frank Neese
Department: Biology
Organisation: University of Konstanz
E-Mail: Frank.Neese@uni-konstanz.de
Comments: I would like to visualize the results of semiempirical calculations using a locally developed program
Computer System: sgi indigo 2


Name: Kálmán J. Szabó
Department: Organic Chemistry
Organisation: Uppsala University
E-Mail: Kalman.Szabo@kemi.uu.se
Comments: Visualisation of computational results (MO, MEP, normal modes)obtained by Gaussian program packeges.
Computer System: Sun OS4


Name: Ramon M. Sosa
Department: Quantum Theory of Molecules (Dep. of Physics)
Organisation: Faculty of Engineering
E-Mail: rsosa@fing.edu.uy
Comments: I would like to do a graphical treatment for theresults I get from Gaussian 94, ADF 201 and Gamess programs.
Computer System: several


Name: Katsumi BABA
Department: Org.Chem. Inst. (Research Group: Prof. P. Hofmann
Organisation: Univ.-Heidelberg
E-Mail: baba@phindigo.oci.uni-heidelberg.de
Comments: Research (Electronic property of inorganic cyclic compound)- visualization of MOPAC(6.0/93)-output
Computer System: SGI Indigo XS24 / IRIX5.2


Name: Piotr Demjanov
Department: Chemistry Department
Organisation: Moscow State University
E-Mail: pdem@organic.chem.msu.su
Comments: This program need to us for visualization of molecular andelectonic structure from output the ab initio packages GAMESS.
Computer System: DOS, Windows95


Name: Peter Burger
Department: Inorganic Chemistry
Organisation: University of Zuerich
E-Mail: chburger@aci.unizh.ch
Comments: MO-visualization
Computer System: dec-axp, linux, rs6000


Name: J. R. Goetz
Department: N/A
Organisation: N/A
E-Mail: jrgoetz@ccnet.com
Comments:
Computer System:


Name: Ivan Rossi
Department: Chemistry "G. Ciamician"
Organisation: University of Bologna
E-Mail: ivan@gandalf.ciam.unibo.it
Comments: Visualization of Gaussian and GAMESS outputs
Computer System: IBM RS/6000 580F running AIX 3.2.5


Name: Wang Chunru
Department: Chemistry
Organisation: The University of Hong Kong
E-Mail: crwang@hkucc.hku.hk
Comments: For plot the molecular orbitals after the calculationsof GAMESS-US. The MOLDEN is a very good softwares, thankyou for your writing this program.
Computer System: ibm rs/6000


Name: Emilio Orgaz
Department: Chemistry Department
Organisation: Univesrity of Paris-Sud
E-Mail: eob@mg.isma.u-osud.fr
Comments: i downloaded molden to evaluate.I'm plannig to use it with gamess for teaching anda part of my research (theoretical solid st. chem.)
Computer System: RS600-390


Name: Gabriel Birrane
Department: Chemistry
Organisation: University College Galway
E-Mail: gabriel.birrane@ucg.ie
Comments:
Computer System: SGI IRIX 5.3


Name: Peter Koenig
Department: Dept. of Chemistry
Organisation: Univ. of Mainz
E-Mail: pkoenig@mail.uni-mainz.de
Comments: To get a more powerful and comfortable way to see what happens in themolecuels I calculated. Our working group is orientated in the area ofhomog. polymerisation catalysts.
Computer System: *ix : AXP, SGI, RS6K


Name: Michael P. Sigalas
Department: School of Chemistry
Organisation: Aristotle University of Thessaloniki
E-Mail: sigalas@olymp.ccf.auth.gr
Comments: Study of the results from ab initio calculationson transition metal and organometallic speciesusing Gaussian and Gamess packages
Computer System: Unix (HP-UX)


Name: Augusto Cesar de Camargo Neto
Department: LIEC - Departament of Chemistry
Organisation: Federal University of Sao Carlos
E-Mail: accn@sysnetway.com.br
Comments: I use Molden to see Mopac & Gaussian output of IRC, Geometry Optimization ...I work with solid state chemistry and catalysis heterogenous.
Computer System: SGI, AIX, LINUX.


Name: MOULABBI
Department: Université des Sciences de Nice
Organisation: LAB.BIOPHYSIQUE
E-Mail: MOULABBI@unice.fr
Comments: MEP-HUMO-LUMO for Hyaluronan (GlcA-GlcNAc)
Computer System:


Name: Marek Skowronek
Department: Institut of Medical Biochemistry
Organisation: Jagiellonian University
E-Mail: mbskowro@kinga.cyf-kr.edu.pl
Comments: Visualisation of Gaussian data like electrostatic potential, density etc.
Computer System:


Name: Kyung Seok Oh
Department: Chemistry
Organisation: Pohang University of Science and Technology
E-Mail: ohks@chem.postech.ac.kr
Comments: I'm major in theoretical and computational chemistry, and use g94, g92, games, and mopac program for calculation.So I need the view and analysis program for output file. Thankx.
Computer System: SGI,IRIX 5.3 and 6.1


Name: Mamoru Endo
Department: Metallury
Organisation: Tohoku Univ.
E-Mail: endo@material.tohoku.ac.jp
Comments: Display MO of salts.
Computer System: SunOS4.1.3


Name: Claus Denk
Department: Fisica Atomica, Molecular y Nuclear
Organisation: Universidad de Sevilla
E-Mail: denk@obelix.cica.es
Comments: Hopefully I find in Molden a tool to diplayresults obtained by GAMESS.
Computer System: Linux


Name: Heiko Jacobsen
Department: Anorganisch Chemisches Institut
Organisation: Universitaet Zuerich
E-Mail: jacobsen@aci.unizh.ch
Comments:
Computer System: dec alpha


Name: Raja Amruthavalli
Department: Physics and Physical Oceanography
Organisation: Memorial University of Newfoundland
E-Mail: raja@smaug.physics.mun.ca
Comments: To display the molecular orbitals and densitygenerated from Gaussian.
Computer System: SGI


Name: Michael Shephard
Department: School of Chemistry
Organisation: University of New South Wales
E-Mail: M.Shephard@unsw.edu.au
Comments: Examining the shapes of MOs calculated by Gaussianand in producing high quality hard-copy contourplots of the orbitals
Computer System: SGI Irix


Name: Lizhi Ouyang
Department: Physics
Organisation: University of Missouri-Kansas City
E-Mail: louyang@cctr.umkc.edu
Comments: Visualize our massive electronic structure calculation data
Computer System: Linux


Name: Shin-ichiro SATO
Department: School of Materials Science
Organisation: Japan Advanced Institute of Science and Technology
E-Mail: s-sato@jaist.ac.jp
Comments: To display molecular orbital contour
Computer System: Sun


Name: Steve Wilkens
Department: NMRFAM
Organisation: University of Wisconsin
E-Mail: wilks@nmrfam.wisc.edu
Comments: i use molden for preparing Gaussian94 input files andviewing G94 output. i'm very pleased to have found moldensince there doesn't seem to be many packages out toassist in viewing ab initio results. thanks.
Computer System: RS/6000


Name: Carlos Manuel Estevez-Valcarcel
Department: Chemistry and Biochemistry
Organisation: University of Delaware
E-Mail: carlos@udel.edu
Comments: Analysis of G94 and GAMESS US outputs (MOs Forces Frequencies IRC etc)
Computer System: IBM RS6000


Name: Paul Koegerler
Department: AC I / Fak. Chemie
Organisation: University of Bielefeld.
E-Mail: paul@chela.chemie.uni-bielefeld.de
Comments: Visualization of GAMESS results
Computer System: SGI indigo


Name: R.L. Birke
Department: Chemistry
Organisation: City College of CUNY
E-Mail: birke@scisun.sci.ccny.cuny.edu
Comments: Molden is an essential tool for analyzing Gaussianoptimized structure and vibrational spectra for moleculesbond to metal clusters.
Computer System: UNIX on DEC Alpha and SGI, macX


Name: vanita sharma
Department: chemistry
Organisation: hunter college
E-Mail: venus@aol.com.
Comments: chemistry research
Computer System:


Name: Dietmar Kaiser
Department: Institute of Organic Chemistry, AK Prof. Jung
Organisation: University of Tuebingen
E-Mail: dietmar.kaiser@uni-tuebingen.de
Comments: Visualization of Gaussian Output
Computer System: Irix 5.3


Name: Dr. Christine Rudolph
Department: Molecular Modelling
Organisation: Cyanamid Research
E-Mail: rudolphc@sbh.cyanamid.com
Comments: Visualisation of GAMESS output
Computer System: SGI/LINUX


Name: Paul van Hooft
Department: Pharmazeutische Chemie
Organisation: Universitaet Duesseldorf
E-Mail: hooft@pharm.uni-duesseldorf.de
Comments: I would like to visualise Connolly surfaces
Computer System: Indy


Name: Massimo Fontanelli
Department: Chemistry
Organisation: University of Florence
E-Mail: maxi@chim1.unifi.it
Comments: Wish I use molden for display results of my ab-initio computational environment, in particulargamess-usa and g94 programs. In future, I whishtry to add a new input feature for ADF program.Compliments for your program, it's really niceand well written...Massimo Fontanellimaxi@chim1.unifi.it
Computer System: AIX 4.11 ---- DEC UNIX


Name: Adrian Stevens
Department: Centre for Molecular Design
Organisation: University of Portsmouth
E-Mail: Stevensa@chem.port.ac.uk
Comments: The intention is to see if the software can assist in the early stages of the development of a 3-DQSAR tool which uses normal coordinate modes ofvibration as the basis for a molecular descriptor.
Computer System: Silicon Graphics R3000 Irix 5.3


Name: dr. Damir Kovacek
Department: Chemistry Departmet, Quantum Chemistry Group
Organisation: Rudjer Boskovic Institute
E-Mail: dkovacek@spider.irb.hr
Comments: We are using Molden for viewing Gaussian andMOPAC outputs.
Computer System: Linux and HP-UX


Name: David A. Pensak
Department: Central Research and Development
Organisation: E. I. DuPont de Nemours, Inc.
E-Mail: pensak@dupont.com
Comments: I'm not sure where I will use it yet. I have just heaheard about and want to take a look at it.
Computer System: RS6000


Name: Friedrich Streffer
Department: Iwan-N-Stranski Institut
Organisation: TU-Berlin
E-Mail: frist@lehr.chem.tu-berlin.de
Comments: displaying data of Gamess and Gaussian, structural chemistry
Computer System: linux


Name: SANJA SEKUSAK
Department: PHYSICAL CHEMISTRY DEPARTMENT
Organisation: RUDER BOSKOVIC INSTITUTE
E-Mail: sanja@indigo.irb.hr
Comments: analyzing changes of molecular density in thecourse of chemical reactions...
Computer System: SGI IRIS INDIGO R4000


Name: Wei Ti Lee
Department: Chemical Engineering
Organisation: University of Illinois, Urbana-Champaign
E-Mail: wt_lee@uhv.scs.uiuc.edu
Comments: Displaying GAUSSIAN92 output, possibly G94 too.
Computer System: IBM RS/6000


Name: Sergio Emanuel Galembeck
Department: Departamento de Quimica - FFCLRP
Organisation: Universidade de Sao Paulo
E-Mail: segalemb@spider.usp.br
Comments: I plan to use molden to help me in the study of molecular electronic structure of organic and inorganic compounds.
Computer System: IBM RS6000 mod. 540H and SGI Indy WebForce


Name: Andreas Parusel
Department: Theoretical Chemistry and Radiationchemistry
Organisation: University of Vienna
E-Mail: andreas@majestix.msp.univie.ac.at
Comments: orbital analysis and SCF convergence in GAUSSIAN94 calculations on excited states of organic donor-acceptor compounds
Computer System: SGI indigo2


Name: Tom Fenn
Department: Department of Chemistry
Organisation: Iowa State University
E-Mail: tfenn@iastate.edu
Comments: Viewing results of GAMESS/US calculations
Computer System: DecStation/5000 and OS/2 on 486/66


Name: C.M.Windsor (Dr. A. Whiting)
Department: Chemistry (Organic Synthesis and Theoretical Modelling)
Organisation: University of Manchester Institute of Science and Technology
E-Mail: mbdtscw@afs.mcc.ac.uk
Comments: Visualisation of HOMO/LUMO orbitals, Gaussian optimisation pathsand generation of new gaussian input files
Computer System: SG indigo 2 IRIX 5.2


Name: Federica Freyria Fava
Department: Chimica IFM
Organisation: Universita` di Torino
E-Mail: federica@ch.unito.it
Comments: Visualization of molecules and crystal unit cells.
Computer System:


Name: E. Tajkhorshid
Department: Molecular Biophysics (0810)
Organisation: German Cancer Research Center
E-Mail: E.Tajkhorshid@DKFZ-Heidelberg.DE
Comments: Analysing Gaussian and Mopac calculation
Computer System: Silicon Graphics


Name: Arbeitsgruppe Theoretische Chemie
Department: Fakultaet fuer Chemie, Theoretische Chemie
Organisation: Universitaet Bielefeld
E-Mail: ralf@tc1.chemie.uni-bielefeld.de
Comments: Visualization of results of Gaussian94 and GAMESScalculations.See: http://www.uni-bielefeld.de/chemie/tc/tcengl.html
Computer System: HP 735


Name: Professor William P. Dailey
Department: Department of Chemistry
Organisation: University of Pennsylvania
E-Mail: dailey@a.chem.upenn.edu
Comments: I'm just starting to use it as a visualization tool.I have used GaussianXX and GAMESS for many years
Computer System: R4000 SGI VGX


Name: Tone kokalj
Department: Dept. for Physical Chem.
Organisation: Jozef Stefan Institute, Ljubljana, Slovenia
E-Mail: Tone.Kokalj@ijs.si
Comments: I use Molden for displaying MOs, electron density,etc...It's good !!!
Computer System: HP-UX


Name: Dr. Romano T. Kroemer
Department: Physical & Theoretical Chemistry Laboratory
Organisation: University of Oxford
E-Mail: romano@bellatrix.pcl.ox.ac.uk
Comments: Viewing Gaussian94 outputs
Computer System: Unix


Name: Laszlo Fabian
Department: X-ray Diffraction
Organisation: Central Research Institute for Chemistry -Hungarian Academy of Sciences
E-Mail: fabian@para.chem.elte.hu
Comments:
Computer System: irix


Name: Christopher M. Hadad
Department: Chemistry
Organisation: Ohio State University
E-Mail: hadad.1@osu.edu
Comments: MO plots from Gaussian
Computer System: IBM RS/6000 AIX 4.1.4


Name: Fabio Luiz Laurenti Garbujo
Department: User Support
Organisation: CENAPAD-SP
E-Mail: garbujo@cenapad.unicamp.br
Comments:
Computer System:


Name: Boris Proppe
Department: Institut fuer Physikalische und Theoretische Chemie
Organisation: Freie Universitaet Berlin
E-Mail: boris@chemie.fu-berlin.de
Comments: Visualize Gaussian results on small molecules(~20-40atoms)
Computer System: HP,SGI


Name: Luis Carballeira
Department: Lab. Quimica Fisica
Organisation: Universidad de Vigo
E-Mail: uviqplco@ds.cesga.es
Comments: visualization of G94 output
Computer System: AIX 3.5


Name: Jong Dal Rhee
Department: College of Pharmacy
Organisation: Yeungnam University
E-Mail: jdrhee@ynucc.yeungnam.ac.kr
Comments: mo viewing
Computer System: sgi & linux


Name: Joseph Landman
Department: Physics and Astronomy
Organisation: Wayne State University
E-Mail: landman@firestorm.physics.wayne.edu
Comments: post processing of MD runs with charge density and defectcharacter information.
Computer System: SGI IRIX 5.3 and 6.2


Name: Carles Bo
Department: Departament de Quimica
Organisation: Universitat Rovira i Virgili
E-Mail: bo@quimica.urv.es
Comments: to visualize molecular orbitals and related propertiesfor research problems and also for teaching purposes.
Computer System: rs/6000


Name: Suvire Fernando Daniel
Department: Quimica General
Organisation: Universidad Nacional de San Luis
E-Mail: fsuvire@unsl.edu.ar
Comments: Conformational and electronic study of molecules with biological aplication
Computer System: Dec OSF/1


Name: Ricard March
Department: Quimica
Organisation: Universitat Autonoma de Barcelona
E-Mail: ricard@faraday.uab.es
Comments: To plot some Gaussian output files.
Computer System: Silicon Graphics


Name: Emanuele Ortoleva
Department: Physical chemistry and ELectrochemistry Dept.
Organisation: University of Milan
E-Mail: orto@rs14.csrsrc.mi.cnr.it
Comments: electron density plotting in demostrations to students
Computer System: IBM RS/6000 340


Name: Yoshitaka Fukumasu
Department:
Organisation: Yoshitomi Pharmaceutical Industries, LTD
E-Mail: yoshicad@mxa.meshnet.or.jp
Comments: retrieve the results(geometry optimization)
Computer System: SGI


Name: Driesner, Thomas
Department: Geochemistry Group, Dept. of Earth Sciences
Organisation: ETH Zuerich
E-Mail: td@erdw.ethz.ch
Comments: Visualization of results from Gaussian94 etc.
Computer System: Linux


Name: Martin Speis
Department: FB 7 / Thermodynamik
Organisation: Gerhard Mercator Universität -GH- Duisburg
E-Mail: martin.speis@uni-duisburg.de
Comments: Visualisation of GAUSSIAN 94.
Computer System: UNIX (Sun, IBM, SGI, DEC, Intel-Linux)


Name: Mauricio D. Coutinho Neto
Department: Chemistry
Organisation: University of Florida
E-Mail: cneto@nersp.nerdc.ufl.edu
Comments: Plot reaction dynamics with electron densities.
Computer System: Linux and Sun


Name: John Wilkie
Department: Chemistry
Organisation: University of St.Andrews
E-Mail: jw5@st-and.ac.uk
Comments:
Computer System: IRIX 5.3


Name: Samuel Mikes
Department: Department of Chemistry
Organisation: Harvey Mudd College
E-Mail: smikes@hmc.edu
Comments: I am an undergraduate. I use molden to animatethe frequencies from Gaussian 94 jobs.
Computer System: SGI Indigo2 -- Irix 5.3


Name: Alan Arnold
Department: School of Chemistry
Organisation: University College (UNSW)
E-Mail: apa@adfa.oz.au
Comments: As chemical/mime-type viewer.Would also like to investigate as tool for visualisation of Amsterdam Density Functionaloutput
Computer System: Pentium/linux ; Indy4600SC


Name: Li Sheng
Department: Chemistry Department
Organisation: NUS
E-Mail: chmls@leonis.nus.sg
Comments:
Computer System: sgi


Name: Stanislav Zalis
Department: J. Heyrovsky Institute of Physical Chemistry
Organisation: Academy of Sciences
E-Mail: zalis@jh-inst.cas.cz
Comments: visualisation of Gaussian 94 or gamess calculation on molecular systems
Computer System: HP - C100


Name: Jens Kupferschmidt
Department: URZ
Organisation: Universitaet Leipzig
E-Mail: kupferschmidt@rz.uni-leipzig.de
Comments: We install it for the chemical department of ouruniversity.
Computer System: HP-UX 9.x / 10.x


Name: Nicolo' Francesco
Department: Dip. Chim. Inorg. Anal. Fisica
Organisation: University of Messina
E-Mail: nicolo@medif0.unime.it
Comments: We are an academic laboratory of X-ray diffraction crystallografpy and we would like to study the molecularstructures by a combination of MOLDEN with GAMESS/GAUSSIAN(GAMESS is already running, GAUSSIAN is planned for the future).
Computer System: OpenVMS 6.1 VaxCluster (AXP+VAX)


Name: Doz. Dr. Peter Wolschann
Department: Institue of theor. Chemistry
Organisation: University of Vienna
E-Mail: Frank.Peter.Wolschann@univie.ac.at
Comments: Visualizing Gaussian output
Computer System: SGI


Name: Maik Gottschalk
Department: Pharmacy
Organisation: University of Wuerzburg
E-Mail: gottsc@cip.chemie.uni-wuerzburg.de
Comments:
Computer System: Linux


Name: Dr M. Fearn
Department: Electronics Sector
Organisation: D.R.A
E-Mail: hp003@dra.hmg.gb
Comments: Only just obtained gamess/molden, hoping to use it to aid interpreptation of gamess runs.
Computer System: SGI


Name: Yoshiyuki Hase
Department: Instituto de Quimica
Organisation: Universidade Estadual de Campinas
E-Mail: hase@iqm.unicamp.br
Comments:
Computer System:


Name: Walter J. Stevens
Department: Physical and Chemical Properties Division
Organisation: National Institute of Standards and Technology
E-Mail: walter.stevens@nist.gov
Comments: Visualization of G94 and GAMESS results.
Computer System: IBM RS6000/3CT


Name: Dr. Gilles Frapper
Department: National Research Council of Canada
Organisation: Steacie Institute for Molecular Sciences
E-Mail: frapper@titanium.sao.nrc.ca
Comments: fot displaying molecules, frequencies from gaussian 94 output.
Computer System: sgi


Name: Jose Jair Vianna Cirino
Department: Physical Chemistry
Organisation: State University of Campinas
E-Mail: jair@iqm.unicamp.br
Comments: I use it to visualise some of the orbitals generated with gamess95.
Computer System: FreeBSD 2.1.5


Name: Jerry Godbout
Department: Department of Chemistry
Organisation: Center for Photoinduced Charge Transfer
E-Mail: godbout@chem.chem.rochester.edu
Comments: visualizing normal modes
Computer System: SGI


Name: Anne von Fircks
Department: Chemistry
Organisation: University
E-Mail: qiecx@mluche4.chemie.uni-halle.de
Comments: doing a lot of MOPAC Calculation I hope to obtaina better visualization of my results
Computer System: RISC


Name: Peter Beverwyk
Department: Department of Chemistry (MC/111)
Organisation: University of Illinois at Chicago
E-Mail: pete@samson.chem.uic.edu
Comments: We use Molden for visualizing molecular orbitalsand energies from Gaussian 94 calculations toget a better understanding of chemical shift infamilies of molecular structures.
Computer System: SGI


Name: Fabio Pichierri
Department: Tsukuba Life Science Center / Gene Bank Laboratory
Organisation: The Institute of Physical and Chemical Research (RIKEN)
E-Mail: fabio@rtc.riken.go.jp
Comments: Visualization of GAMESS and GAUSSIAN-92 outputs.
Computer System: Silicon Graphics, Indigo 4DRPC


Name: Dr. Neil Henson
Department: T-12
Organisation: Los Alamos National Laboratory
E-Mail: neil.henson@lanl.gov
Comments: Visualising data from Gaussian94
Computer System: SGI


Name: wolfgang sippl
Department: department of pharmaceutical chemistry
Organisation: heinrich-heine-universitaet duesseldorf
E-Mail: sippl@pharm.uni-duesseldorf.de
Comments: display of molecular electrostatic potentials of drugs
Computer System: sgi indigo2


Name: Bruno Manunza
Department: DISAABA (Dept. Envir. Sci)
Organisation: University of Sassari
E-Mail: bruno@antas.agraria.uniss.it
Comments: Visualize QM (GAMESS-GAUSSIAN) Results
Computer System: IBM RS 6000


Name: Giuseppe Saba
Department: Dipartimento Scienze Chimiche
Organisation: Universita' degli Studi di Cagliari Italy
E-Mail: pino@mvcch3.unica.it
Comments: Analysis of MD simulation on polypeptides
Computer System: Alpha AXP OSF1/2.0


Name: Primoz Peterlin
Department: Institute of Biophysics
Organisation: University of Ljubljana
E-Mail: primoz.peterlin@biofiz.mf.uni-lj.si
Comments:
Computer System: HP715, HP-UX 9.05


Name: Peter Schwerdtfeger
Department: Department of Chemistry
Organisation: University of Auckland
E-Mail: schwerd@ccu1.auckland.ac.nz
Comments: Density plots
Computer System: IBM RISC6000 AIX


Name: Hiroki KIMOTO
Department: Chemistry
Organisation: National Defense Academy, JAPAN
E-Mail: hero@cc.nda.ac.jp
Comments: Visualization of MOPAC
Computer System: DEC 3000


Name: Alessandro Bencini
Department: Chimica
Organisation: Universita' di Firenze
E-Mail: bencini@chim1.unifi.it
Comments: Visualization of molecular properties from ab initio and DFT calculations.
Computer System: AIX; unix-osf


Name: James F. Harrison
Department: Chemistry
Organisation: Michigan State University
E-Mail: Harrison@cemvax.cem.msu.edu
Comments: Animate Molecular Vibrations
Computer System: Pentium 133 mhz


Name: Oleg V. Shishkin
Department: X-Ray Investigations Laboratory
Organisation: A.N.Nesmeyanov Institute of Organoelement Compounds
E-Mail: oleg@xray.ineos.ac.ru
Comments: We use MOLDEN for analysis of electron densitydistribution in various molecules.
Computer System: Pentium-100 under Linux


Name: SIRI
Department: Université de Provence
Organisation: SREP
E-Mail: siri@srepir2.univ-mrs.fr
Comments: Orbital visualization Reactional pathway visualization
Computer System: Silicon Graphics


Name: Tsutomu Shinzawa
Department:
Organisation:
E-Mail: shinz@lsi.tmg.nec.co.jp
Comments: Study chemistry using Gamess.
Computer System: FreeBSD(98)


Name: Zdenek Chval
Department: Faculty of Biology
Organisation: University of South Bohemia
E-Mail: chval@entu.cas.cz
Comments: I want to use this program for visualisation ofan electrostatic potential computed by GAMESS.
Computer System: SGI


Name: Carlos Daniel Mandolesi
Department: Departamento de Quimica e Ingenieria Quimica
Organisation: Universidad Nacional del Sur
E-Mail: cmandole@uns.edu.ar
Comments: For studying molecular structure, for else
Computer System: DOS 6.22 and WINDOWS 3.11


Name: Remacle Francoise
Department: Chimie Physique
Organisation: Universite de Liege
E-Mail: francois@gamla.dynmol.chim.ulg.ac.be
Comments: we want to use MOLDEN to visualize vibration modes, reaction path and electron densities for our lastyear students
Computer System: indy


Name: Joakim Westerberg
Department: Physics Department, Quantum Cemistry
Organisation: Stockholm University
E-Mail: wberg@physto.se
Comments: I am just about to figure it out..
Computer System: DEC Alpha


Name: A. Lefering
Department:
Organisation:
E-Mail: aleferin@netland.nl
Comments: studyin combination with Mopac and rRasmol
Computer System: linux


Name: Dr. Dietrich Gudat
Department: Institut f. Anorganische Chemie
Organisation: Universitaet Bonn
E-Mail: dgudat@uni-bonn.de
Comments: Visualisation of output from Gaussian Calculations
Computer System: SGI-Indigo (Irix 5.2)


Name: Joel White
Department: Neuroscience
Organisation: Tufts University School of Medicine
E-Mail: jwhite@opal.tufts.edu
Comments: Will use Molden to view GAMESS output.
Computer System: SunSoft's Interactive Unix (PC platform)


Name: Antonio Fernandez-Ramos
Department: Facultade de Quimica / Quimica Fisica
Organisation: Universidade de Santiago de Compostela
E-Mail: qftramos@usc.es
Comments: Molecular Orbitals and Density view Z-Matrix building Geometric Optimization following
Computer System: SGI


Name: Richard L. Martin
Department: Theoretical Division
Organisation: Los Alamos National Laboratory
E-Mail: rlm@t12.lanl.gov
Comments: visualizing gaussian and mopac output -- great tool,thanks. if it had a sketcher so i could prepare coordinateinput for gaussian, mopac, i would use it for much of mywork. another feature which would be nice is to use themovie feature to observe molecualr dynamics trajectoriesas they are generated by the DRC option in MOPAC.Thanks again -- a nice tool.
Computer System: HP 712


Name: Carlos Mauricio R. de Sant'Anna
Department: Departamento de Quimica Organica
Organisation: Universidade Federal do Rio de Janeiro
E-Mail: mauricio@iq.ufrj.br
Comments: Visualization and construction of molecular structures for semiempirical calculations.
Computer System: Unix


Name: Steve Gill
Department:
Organisation:
E-Mail: skg@asis.com
Comments: experimental use (I haven't tried it yet!) - I'll try it as a gaussian file converter
Computer System: win 95


Name: Bart Rousseau
Department: Department of Chemistry
Organisation: University of Antwerp
E-Mail: roussea@uia.ua.ac.be
Comments: Visualization of vibrations, density etc.
Computer System:


Name: Hamish Wynn
Department: Chemistry
Organisation: Birkbeck College
E-Mail: awynn01@students.bbk.ac.uk
Comments: Gaussian interface
Computer System: IRIS


Name: Josep M. Anglada
Department: Quimica Organica Biologica
Organisation: CID-CSIC
E-Mail: anglada@qteor1.cid.csic.es
Comments: To represent density maps and Laplacians in quantum chemical calculations.
Computer System: SGI


Name: Giuseppe Ermondi
Department: Dipartimento di Scienza e Tecnologia del Farmaco
Organisation: University of Torino
E-Mail: ermondi@ch.unito.it
Comments: I am looking for program that permit to write z-matrix in a simple way. Furthermore I am interesting in calculation at ab-initio and semiempirical level and I'm intersting in program that permits to visualize the results.
Computer System: silicon graphics


Name: Stephen Klippenstein
Department: Chemistry Department
Organisation: Case Western Reserve University
E-Mail: sjk5@po.cwru.edu
Comments: I'm plotting orbitals from GAUSSIAN for the firsttime and found it amazingly easy to download and use MOLDEN for this.
Computer System: IBM/RS6000


Name: Olaf Wiest
Department: Department of chemistry and Biochemistry
Organisation: University of Notre Dame
E-Mail: wiest.1@nd.edu
Comments: Visualization of G94 outputs
Computer System: IBM RS6000; SGI R5K


Name: Eros Albertazzi
Department: LAMEL
Organisation: CNR
E-Mail: eros@lamel.bo.cnr.it
Comments: visualize electron density in Si and SiC computed with gaussian 94
Computer System: Digital Alpha


Name: HENON eric
Department: CHIMIE
Organisation: Laboratoire de Chimie-Physique
E-Mail: jean.brion@cleo.univ-reims.fr
Comments: I use Molden in order to exploit outputsfrom gaussian calculations.
Computer System: HP APOLLO series 700


Name: Victor Manuel Rayon Rico
Department: Departamento de Quimica-Fisica y Analitica
Organisation: Facultad de Quimica. Universidad de Oviedo.
E-Mail: vmrr@dwarf1.quimica.uniovi.es
Comments: Molden is a powerfull tool to use with Gaussian94and GAMESS.It visualizes very well normal modes and M.O.
Computer System: Pentium


Name: Prof. Dr. Engin Ozdas
Department: Physics Department
Organisation: Hacettepe University
E-Mail: ozdas@eti.cc.hun.edu.tr
Comments: Molecular Modeling during the synthesis of new compound
Computer System: Sun-Ultra1 Solaris2.5


Name: Luca PEDOCCHI
Department: Dipartimento di Chimica
Organisation: Università di Firenze
E-Mail: luca@lcfs.chim.unifi.it
Comments: density maps, orbitals' visualization
Computer System: SGI CHALLENGE - IRIX 6.2


Name: Dr. Herbert Homeier, Institut für Physikalische und Theoretische Chemie
Department: Naturwissenschaftliche Fakultät IV - Chemie und Pharmazie
Organisation: Universität Regensburg
E-Mail: Herbert.Homeier@chemie.uni-regensburg.de
Comments: rchs3.uni-regensburg.de
Computer System: rchs2.uni-regensburg.de


Name: Jiro Abe
Department: Department of Photo-Optical Engineering, Faculty of Engineering
Organisation: Tokyo Institute of Polytechnics
E-Mail: jiro@photo.t-kougei.ac.jp
Comments: I will use this program to visualize the densitydifference map. I have some questions. Firstly, canI increase the number of grid points? The defaultvalue seems to be 61. Secondly, can I use the ECPbasis sets for metal?
Computer System: DEC


Name: Dominik Horinek
Department: Chemistry
Organisation: Universitaet Regensburg
E-Mail: Dominik.Horinek@chemie.uni-regensburg.de
Comments: view molecular structures & MOs fromGamess & Gaussian
Computer System: SGI R5000


Name: Robert Burrow
Department: Quimica
Organisation: Universidade federal de Santa Maria
E-Mail: rburrow@chem.utoronto.ca
Comments: Visualization of GAMESS output.
Computer System: Pentium/Linux


Name: Patrick O'Malley
Department: Chemistry
Organisation: University of Manchester Institute of Science and Technology
E-Mail: patrick@trigger.ch.umist.ac.uk
Comments: Visualising output from G94
Computer System: SGI


Name: Paul Kiprof
Department: Chemistry
Organisation: University of Minnesota Duluth
E-Mail: pkiprof@d.umn.edu
Comments: Analyzing output from GAMESS/US and Gaussian
Computer System: SGI


Name: yoshihito, shiota
Department: molecular eng
Organisation: kyoto university (master course )
E-Mail: j50130@sakura.kudpc.kyoto-u.ac.jp
Comments: thank you very much , molden is very nice programm .I want to get optimized structure on irc caluclation. and tell me about how to drow more 250 MO !!
Computer System: ibm,hp712


Name: Alexander V. Soudackov
Department: Laboratory of Quantum Chemistry & Statistical Physics
Organisation: Karpov Institute of Physical Chemistry
E-Mail: souda@hp-lqcsp.nifhi.ac.ru
Comments: For the visualization of GAMESS outputs
Computer System: HP9000 under HPUX 10.10


Name: Araken dos Santos Werneck Rodrigues
Department: Fisica
Organisation: Universidade de Brasilia
E-Mail: wernec@fis.unb.br
Comments: To interface white the program Gamess, and use the resources to analyze of the propertiesof macromolecules sistens (biological or polimers).
Computer System: Alpha AXP


Name: Jozef Ulicny
Department: Biophysics Dep.
Organisation: University of P.J.Safarik
E-Mail: ulicny@kosice.upjs.sk
Comments: G94 output visualisation
Computer System: UNIX


Name: Frank Schouren
Department: Universität zu Köln
Organisation: Physikalische Chemie II
E-Mail: F.Schouren@uni-koeln.de
Comments: I would like to TRY to visualize the outputs of my GAUSSIAN-CASSCF-calculations ondiatomics, esp. MO's and orbital-energie-diagrams.
Computer System:


Name: Wen-Shyan Sheu
Department: Chemistry
Organisation: Fu-Jen Catholic University
E-Mail: sheu@hermes.fju.edu.tw
Comments: we would like to use Molden to display the results obtained from Gaussian94.
Computer System: IBM RS6000


Name: Dr. Zhenyang LIN
Department: Chemistry
Organisation: The Hong Kong University of Science and Technology
E-Mail: chzlin@chsg5.ust.hk
Comments: Structure and Bonding studies in Inorganicand Organometallicmolecules.
Computer System: Unix


Name: Toshio Asada
Department: Integrated Arts and Sciences
Organisation: Osaka Prefecture University
E-Mail: asada@chem.cias.osakafu-u.ac.jp
Comments: Displaying molecular shape, view nomal mode vibration,and plotting molecular orbitals from G94.
Computer System: Dell OMNI PLEX 590 with FreeBSD (X11R6)


Name: Phil Branton
Department: Department of Chemistry
Organisation: University of Surrey
E-Mail: p.branton@surrey.ac.uk
Comments: Plan to use it for visualizing Gaussian output.
Computer System: SG Indy


Name: Sérgio Emanuel Galembeck
Department: Departamento de Química
Organisation: Universidade de São Paulo
E-Mail: segalemb@lammol.ffclrp.usp.br
Comments: I am planning to use Molden to help my group in the interpretation of MOPAC93R2, GAMESS and GAUSSIAN results.
Computer System: SGI Indy WebForce; IBM 52H


Name: Hoefer
Department: Anorgan. Chemie
Organisation: Universitaet Mainz
E-Mail: hoefer@dacmza.chemie.uni-mainz.de
Comments: displaying vibrations and MO' s from Gaussian output files
Computer System: VMS


Name: Ruediger Wittenberg
Department:
Organisation: TU Clausthal
E-Mail: ruediger.wittenberg@tu-clausthal.de
Comments: At this momment I can't say if I'll use the program during my studies. But I would like to use it in displaying properties of complex organic molecules.
Computer System: Linux


Name: Zhitao XU
Department: Chem
Organisation: HKUST
E-Mail: chzxu@chsg5.ust.hk
Comments: For the studies of structure& bonding of metal clusters.
Computer System: Xwindow/sgi


Name: merzel franci
Department: laboratory for molecular modeling and NMR
Organisation: national institute of chemistry
E-Mail: franc@kihp1.ki.si
Comments: displying the results of Gaussian program(electron density and electrostatic potential ofmolecules)
Computer System: silicon graphics


Name: balawender robert
Department: Institute of Physical and Theoretical Chemistry
Organisation: Technical University of WROCLAW
E-Mail: robert@eleanor.ch.pwr.wroc.pl
Comments: I use molden for preparinf and displaying results of my calaculations
Computer System: linux


Name: Ivar Martin
Department: Bioorganic Chemistry
Organisation: Institute of Chemistry
E-Mail: ivarm@boc.ic.ee
Comments: Visualization of MOPAC calculation results of asymmetric alkylation and condensation reactions
Computer System: LINUX


Name: deyerl
Department: orgainische chemie
Organisation: eth zürich
E-Mail: deyerl@chen3.ethz.ch
Comments: viewing molecular orbitals
Computer System: RS6000/ AIX3


Name: Vincent Otten
Department: Computational Chemistry
Organisation: The Nottingham Trent University
E-Mail: hc171vo01@ntu.ac.uk
Comments: To work with the Gaussian Output Files
Computer System: Sun (Solaris 5.5)


Name: Guanghua Gao
Department:
Organisation: MSC, Caltech
E-Mail: gao@wag.caltech.edu
Comments: Visualize Orbitals
Computer System: Unix


Name: Tamio Tsukamoto
Department: Natural Science
Organisation: Osaka Women's University
E-Mail: tamtam@thyme.nsci.osaka-wu.ac.jp
Comments: Analyse of gamess & mopac93 output.
Computer System: SGI Indy R4600PC / Irix 5.3


Name: Yasuhiro Kobori
Department: Reaction Dynamics
Organisation: Institute for Chemical Reaction Science, Tohoku Univ.
E-Mail: ykobori@icrs.tohoku.ac.jp
Comments: MO representation
Computer System:


Name: Professor Dr. Georg Schmeer
Department: Institute of Physical and Theoretical Chemistry
Organisation: University of Regensburg
E-Mail: georg.schmeer@chemie.uni-regensburg.de
Comments: Building of Molecules for Molecular Modellingand Molecular Dynamics Calculations
Computer System:


Name: Luke A. Burke
Department: Chemistry
Organisation: Rutgers University
E-Mail: burke@camden.rutgers.edu
Comments: Vib normal nodes, MO/Den/esp plots and perhaps more
Computer System: Indigo2


Name: Dan Sorescu
Department: Department of Chemistry
Organisation: University of Pittsburgh
E-Mail: dsorescu+@pitt.edu
Comments: Visualization of Gaussian output
Computer System: Indy R5000


Name: Kenzi Hori
Department: Applied Chemistry abd Chemical Engineering
Organisation: Yamaguchi University
E-Mail: kenji@sparklx.chem.yamaguchi-u.ac.jp
Comments: not now
Computer System: IRIS and Sun


Name: Damian Moran
Department: Chemistry
Organisation: Macquarie University
E-Mail: damian.moran@mq.edu.au
Comments: visualisation of gamess-us output.
Computer System: SGI Irix 5.x , 6.x


Name: Dr. Nico Sanna
Department:
Organisation: CASPUR
E-Mail: sanna@caspur.it
Comments: As a post-processing tool for Gaussian 94 jobs
Computer System: Linux on PentiumPro


Name: Hisayoshi Kobayashi
Department: Dept. of Chemical Technology
Organisation: Kurashiki University of Science and the Arts
E-Mail: kobayasi@chem.kusa.ac.jp
Comments: Draw electron density plots with Gaussian 94 and if possible with deMon.
Computer System: SGI Ingy


Name: Armando Navarro
Department: Organic Chemistry
Organisation: University of Santiago de Compostela
E-Mail: qoajnv@uscmail.usc.es
Comments: For the visualization of normal modes of vibration
Computer System: silicon graphics Indigo


Name: Patrick Bultinck
Department: Inorganic and Physical Chemistry
Organisation: University of Ghent
E-Mail: Patrick.Bultinck@rug.ac.be
Comments: Processing GAMESS and G94 outputto examine imag; frequencies in vibrational analysis.
Computer System: IBM RS/6000


Name: noj malcolm
Department: dept of chemistry, university of manchester
Organisation: theory group
E-Mail: noj.malcolm@man.ac.uk
Comments: vis. of g94 output/input - for which it seems to be by far the best available code
Computer System: hp735


Name: Brian J. Smith
Department:
Organisation: Biomolecular Research Institute
E-Mail: brian.smith@mel.dbe.csiro.au
Comments: Visualizing Gaussian output
Computer System: SGI power challenge


Name: Dr Kalman J. Szabo
Department: Organic Chemistry
Organisation: University of Uppsala
E-Mail: kalman@kemi.uu.se
Comments: Visualization of MOs and normal modes (research, education)
Computer System: Alphastation 500


Name: Matthew Cooper
Department: Manchester Computing
Organisation: Manchester Visualization Centre
E-Mail: m.cooper@mcc.ac.uk
Comments: As yet nothing. I am assessing visualization packagesand making them available, where possible, to our users.
Computer System: HPUX, IRIX-5.3/6.2


Name: Humberto Soscun
Department: Inorganic chemistry (Scientific Computing Laboratory)
Organisation: La Universidad del Zulia
E-Mail: humberto@solidos.ciens.luz.ve
Comments: To study the electornic density and the associatedproperties: laplacian.
Computer System: PC,


Name: ZOLTAN CSEPES
Department: SURFACE PHYSICS
Organisation: RESEARCH INSTITUTE FOR TECHNICAL PHYSICS
E-Mail: csepes@mufi.hu
Comments: Visualising computational results gained by GAMESS for molecular structures of interest in surface physics and ab initio quantum chemistry.
Computer System: LINUX


Name: Witold Piskorz
Department: Dept. of Chemistry
Organisation: Jagiellonian University
E-Mail: wpiskorz@tichy.ch.uj.edu.pl
Comments: Visualization of the moleculeswith an opportunity of the publication-qualitypostscript or other vector format export.
Computer System: Linux


Name: Slawomir Z. Janicki
Department: Chemistry
Organisation: University of Illinois
E-Mail: slawek@alchmist.scs.uiuc.edu
Comments: To display MO's from Gaussian 94
Computer System: AIX,IRIX


Name: Ramon Garduno Juarex, Ph. D.
Department: Instituto de Fisica, Lab. Cuernavaca
Organisation: Universidad Nacional Autonoma de Mexico
E-Mail: ramon@ce.ifisicam.unam.mx
Comments: Visualization of MOPAC, AMPAC MOs
Computer System: SGI Unix


Name: john connolly
Department: chemistry
Organisation: university of missouri-kansas city
E-Mail: connolly@cctr.umkc.edu
Comments: display of mo's on a linux box. I'm having trouble compiling the program rith now. See attached message: The molden3.2 binary for linux causes a segmentation fault on my system. When trying to use the makefile which came with the distribution I get the following error message:f77 -c atomdens.f -o atomdens.of2ctmp_atomdens.f: BLOCK DATA atomdens:Compiler error line 29 of f2ctmp_atomdens.f: Impossible tag 0 in routine frexprmake: *** [atomdens.o] Error 4I have a slakware distribution with (elf) kernel 2.0.15, 32 mbytes ram, running XFree86 version 3.2.f2c is usually an adventure for me, although I eventually did successfully compile gamess and the yaehmop package out of Cornell. If you could point me in the right direction I would appreciate it.Thanks, Jack Connolly(connolly@cctr.umkc.edu)
Computer System:


Name: Dr Alan Hinchliffe
Department: Department of Chemistry
Organisation: UMIST
E-Mail: alan.hinchliffe@umist.ac.uk
Comments:
Computer System:


Name: Mark Timken
Department: Chemistry
Organisation: Widener University
E-Mail: timken@science.widener.edu
Comments: mainly to visualize output of GAMESS-US runs; for educational/research purposes
Computer System: linux on a pentium


Name: Philippe halvick
Department: Laboratoire de Physicochimie Theorique
Organisation: Universite Bordeaux I
E-Mail: halvick@lpct.u-bordeaux.fr
Comments: view results of Gaussian and Ampacget a paper plot of molecular structure
Computer System: HP, SGI, IBM


Name: Jens Dittmar
Department: Physical and Theoretical Chemistry
Organisation: University of Leipzig
E-Mail: dittmar@sonne.tachemie.uni-leipzig.de
Comments: visualization of GAUSSIAN94 output:input check/optimization tracing/MO's
Computer System: Pentium100/Linux


Name: Jose Ignacio Garcia
Department: Quimica Organica
Organisation: Instituto de Ciencia de Materiales de Aragon
E-Mail: jig@qorg1.unizar.es
Comments: Visualization of molecular structures, vibrations and molecular orbitals from MOPAC and Gaussian 94 calculations
Computer System: HP C160 under HP-UX 10.20


Name: Nithya Srinivasan
Department: Chemical Engineering
Organisation: University of Louisville
E-Mail: n0srin01@homer.louisville.edu
Comments: To visualize G94 output
Computer System: IRIX


Name: David A. Hrovat
Department: Chemistry
Organisation: University of Washington
E-Mail: hrovat@chem.washington.edu
Comments: Post calculation processing of data from Gaussianand GAMESS output.
Computer System: IBM RS/6000 AIX3.2.5


Name: Gabriele Costantino
Department: Istituto di Chimica e Tecnologia del Farmaco
Organisation: University of Perugia
E-Mail: gabri@iris.chimfarm.unipg.it
Comments: Visualize GAMESS outputs
Computer System: SGI/IBM R6000


Name: Dr. Tim Evans
Department: School of Chemistry
Organisation: The Queen's University of Belfast
E-Mail: tim.evans@qub.ac.uk
Comments: Input and output of GAMESS(UK) data
Computer System: Silicon Graphics


Name: Matthias Stein
Department: Biophysical Chemistry
Organisation: Technical University Merlin
E-Mail: ms@struktur.chem.tu-berlin.de
Comments:
Computer System: IBM RS/6000


Name: David Moncrieff
Department: Supercomputer Computations Research Institute
Organisation: Florida State University
E-Mail: moncrieff@scri.fsu.edu
Comments: Display Ab Initio plots from Gaussian
Computer System: AIX,HP,AXP,SGI


Name: Andrzej Jarzecki
Department: Chemistry
Organisation: University of Arkansas
E-Mail: jarzecki@uafchem1.uark.edu
Comments: To view vibrational modes
Computer System: UNIX


Name: Herreboudt
Department: 98
Organisation: ENSTA
E-Mail: herrebou@ensta.fr
Comments:
Computer System: linux


Name: John G. Russell
Department: Department of Chemistry
Organisation: California State University, Sacramento
E-Mail: russellj@csus.edu
Comments: View Gassiaun and MOPAC results
Computer System: linux


Name: Tamas VESZPREMI
Department: Department for inorganic chemistry
Organisation: Technical University of Budapest
E-Mail: root@iris.inc.bme.hu
Comments: Plotting orbitals, molecules and toltal electron densities,writing Z-matrices, viewing outputs and inputs
Computer System: SGI Indigo(R4000), Origin200(r10000)


Name: Hou tingjun
Department: Department of Chemisty
Organisation: Peking University
E-Mail: htjcsl@chemms.pku.edu.cn
Comments:
Computer System: Scounix


Name: Ivan Cernusak
Department: Chemistry & Biochemistry
Organisation: University of Maryland Baltimore County
E-Mail: cernusak@umbc.edu
Comments: 2D & 3D plots or MO's, MEP maps, el.density maps
Computer System: unix


Name: Eugene Kryachko
Department:
Organisation: Bogoliubov Institute for Theoretical Physics
E-Mail: eugen@gluk.apc.org
Comments: Building molecular structure
Computer System: Linux


Name: Eliseo Ruiz
Department: Inorganic Chemistry Department
Organisation: Unbiversity of Barcelona
E-Mail: eliseo@linus.qui.ub.es
Comments: visualization of gaussian files
Computer System: SGI


Name: Alan Aspuru Guzik
Department: Theoretical and Physical Chemistry, UNAM
Organisation: Universidad Nacional Autonoma de Mexico
E-Mail: aspuru@servidor.unam.mx
Comments: Use of GNU/GPL alternatives for Quantum and Physical Chemistry I am an undergraduate student interested in programming for this activities, and your program is excellent. Keep on with the good work!
Computer System: Linux.


Name: Declan Doyle
Department:
Organisation: Rockefeller University
E-Mail: doyled@rockvax.rockefeller.edu
Comments: Representation of crystallographic pdb models
Computer System: SGI irix 5.3


Name: Guenter Fritz
Department: Fakultaet f. Biologie, Universitaet Konstanz
Organisation: AG Kroneck
E-Mail: fritz@epikur.biologie.uni-konstanz.de
Comments: Visualisation of protein structures, potential surfaces of small molecules, visulisation of mopac, gaussian output
Computer System: SGI Indigo2


Name: Ping Lin
Department: Dept. of Chem
Organisation: Texas A&M Univ.
E-Mail: plin@chemvx.tamu.edu
Comments: To extract information from the output of GAUSSIAN94
Computer System: SGI IRIX6.1


Name: Wesley Schaal
Department: Organic Pharmaceutical Chemistry
Organisation: Uppsala University
E-Mail: wes@orgf1.bmc.uu.se
Comments: view G94 results
Computer System: SGI, Irix 5.3


Name: Patrick Moore
Department: Chimica Biologica
Organisation: University of Verona
E-Mail: Moore@borgoroma.univr.it
Comments: model pyridoxal phosphate-amino acid complexes
Computer System: Windows95,Netscape3.0


Name: Thys Gerd
Department: Scheikunde - Dienst Structuurchemie
Organisation: Universitaire Instelling Antwerpen (UIA)
E-Mail: thys@uia.ua.ac.be
Comments: electron density / molecular intensities of organic molecules:graphical representation of MOPAC output
Computer System: UNIX (IRIX)


Name: Prof. Dr. Vukic Soskic
Department: Biochemistry
Organisation: Faculty of Chemistry
E-Mail: vsoskic#hf01.chem.bg.ac.yu
Comments:
Computer System: Windows 95


Name: Pericles D. Akrivos
Department: Chemistry, Laboratory of Inorganic Chemistry
Organisation: Aristotle University of Thessaloniki
E-Mail: akrivos@chem.auth.gr
Comments: Teaching purposes for 2nd and 4th semester students who are taught the principles of basic computations on small molecules
Computer System: VAX 9000 operating under VMS 5.5


Name: Stefan Beils
Department:
Organisation: Uni Bielefeld
E-Mail: Stefan.Beil@post.uni-bielefeld.de
Comments: Visualize some structures calculated with gaussian 94
Computer System: Linux


Name: Chris Page
Department: Department of Chemistry
Organisation: Imperial College
E-Mail: c.s.page@ic.ac.uk
Comments: Visualisation of Gaussian Input/Output, MEPs,Connolly surfaces
Computer System: SGI Indigo Elan


Name: Peter Knowles
Department: School of Chemistry
Organisation: University of Birmingham
E-Mail: P.J.Knowles@bham.ac.uk
Comments: Front-end to quantum chemistry codes
Computer System: SGI


Name: Lloyd N. Ghauharali
Department: BioFarmaceutsche Wetenschappen
Organisation: Rijks Universiteit Leiden
E-Mail: ghauhara@chem.vu.nl, lloyd@rulglv.leidenuniv.nl
Comments: The visualisation of MEPs calculated by GAMESS-UK.I'd like to be able to choose my own colors andmy own grid size
Computer System: Silicon Graphics IRIX Indigo


Name: Peeters Daniel
Department: Chemistry- Labo Chimie Quantique
Organisation: Universite Catholique de Louvain
E-Mail: Peeters@cpmc.ucl.ac.be
Comments: 3D views of Gaussian94 output
Computer System: UNIX- AIX- IBM/RS6000


Name: Paul Rademacher
Department: Institute of Organic Chemistry
Organisation: University of Essen
E-Mail: radem@oc1.orgchem.uni-essen.de
Comments: Input and output of files for or from quantum chemical calculations.
Computer System:


Name: anastasio nogueron garcia
Department: quimica organica
Organisation: instituto politacnico nacional
E-Mail: anoguer@vmredipn.ipn.mx
Comments:
Computer System: windows 3.xx


Name: Csaba Magyar
Department:
Organisation: Institute of Enzymology, Hungarian Acedemy of Sciences
E-Mail: magyarcs@enzim.hu
Comments: I plan to use it with GAMESS.
Computer System: Intel Linux


Name: Dean Antic
Department: Department of Chemistry and Biochemistry
Organisation: University of Colorado at Boulder
E-Mail: antic@eefus.colorado.edu
Comments: HOPEFULLY I WILL BE ABLE TO DISPLAY TRANSITION DENSITIES.
Computer System: SGI/IRIX, UNIX/AIX


Name: Gabor I. Csonka
Department: Inorganic Chemistry
Organisation: Budapest University of Technology
E-Mail: csonka@web.inc.bme.hu
Comments: see my Lpaplacian paper published in 1995 nov. ECCC2http://www.ch.bme.hu/inc/csg.html
Computer System: SGI, IBM


Name: Widauer, Christoph
Department: Inorganic Chemistry
Organisation: ETH, Zuerich
E-Mail: widauer@inorg.chem.ethz.ch
Comments: Visualization of Calculations run with G94
Computer System: sgi


Name: Thomas Wagener
Department: FB Chemie
Organisation: Philipps-Universität Marburg
E-Mail: wagenert@mailer.uni-marburg.de
Comments: Processing Gaussian outputs
Computer System: linux


Name: Marc Baaden
Department: UMR 50 CNRS-BRUKER-ULP
Organisation: Universite Louis Pasteur
E-Mail: marc@diabolo.u-strasbg.fr
Comments: Visualizing Gaussian output, examination of the differentsteps of geometry opimization and convergence behaviour
Computer System: SGI IRIX diabolo 5.2 02282016 IP22 mips


Name: Li, Yong-Wang
Department: Computation division
Organisation: Sate-Key Laboratory of Coal Conversion
E-Mail: later
Comments: display the results from GAMESS
Computer System: SGI


Name: Maria Cristina dos Santos
Department: Depto. de Fisica do Estado Solido
Organisation: Universidade Estadual de Campinas
E-Mail: cristina@ifi.unicamp.br
Comments: Charge density plots for organic conjugatedmolecules calculated from GAMESS
Computer System: IBM RISC/6000 37T


Name: Guosheng LI
Department:
Organisation:
E-Mail: li@incm.u-nancy.fr
Comments: As convenient as possibleAs powerful as possible
Computer System: IBM/RS6000 AIX 4.1.2


Name: Monica Hilliard
Department: Chemistry
Organisation: Washington State University
E-Mail: 60064883@wsuvm1.csc.wsu.edu
Comments: To visualize MO's obtained from Gaussian output on transition metal complexes.
Computer System: SGI Indy


Name: Hwa-Suck Cho
Department: Department of Physics
Organisation: Yeungnam University
E-Mail: hscho@ynucc.yeungnam.ac.kr
Comments: Analisys of results in GAUSSIAN94's output-file.
Computer System:


Name: Dr. Hans-Gert Korth
Department: Institut fuer Organische Chemie
Organisation: Universitaet - GH Essen
E-Mail: hgk@oc1.orgchem.uni-essen.de
Comments: Visualization of GAUSSIAN data
Computer System: SGI Indy


Name: Dr O. Parchment
Department: Department of Chemistry
Organisation: University Of Surrey
E-Mail: chs1op@surrey.ac.uk
Comments: Primarily for viewing orbitals
Computer System: Silicon Graphics


Name: Nancy Kim
Department: Chemistry
Organisation: The University of Illinois at Chicago
E-Mail: u32756@uic.edu
Comments:
Computer System: SilliconGraphics


Name: Antonio Julio Lossio Botelho Junior
Department: Department of Drugs
Organisation: Federal University of Rio de Janeiro
E-Mail: jjunior@unikey.com.br
Comments: WE intend to use molden to see the results of MOPAC calculation, to draw plot and animations etc.
Computer System: LINUX and FreeBSD


Name: Anders Sandstrom
Department: Bioorganic Chemistry
Organisation: Uppsala University, Sweden
E-Mail: Anders.Sandstrom@BioorgChem.uu.se
Comments: Visualization of G-94 results
Computer System: SGI Indy R4400 SC


Name: Dirk Neumann
Department: Department of Inorganic Chemistry
Organisation: Humboldt University Berlin
E-Mail: neumann@chemie.hu-berlin.de
Comments: visualization of Gaussain outputs (MOs, densities,laplacian)
Computer System: IRIX, Linux


Name: Pamela R. Seida
Department: Chemistry and Biochemistry
Organisation: University of Delaware
E-Mail: pseida@udel.edu
Comments: visualization of computational results
Computer System: Silicon Graphics


Name: RAJEEV PRABHAKAR
Department: fysikum
Organisation: STOCKHOLM UNIVERSITY
E-Mail: raju@physto.se
Comments: academic purposes
Computer System: vanqc37


Name: Wijnand Mooij
Department: Crystal and Structural Chemistry
Organisation: Utrecht University
E-Mail: w.t.m.mooij@chem.ruu.nl
Comments: Z-matrix editorGamess output visualization
Computer System: Silicon Graphics


Name: Robert B. Yelle
Department: Department of Chemistry & Chemical Biology
Organisation: Harvard University
E-Mail: yelle@tammy.harvard.edu
Comments: For displaying molecular orbitals and electron density.
Computer System: Hewlett-Packard


Name: Anthony Kucernak
Department: Department of Chemistry
Organisation: Imperial College of Science
E-Mail: a.kucernak@ic.ac.uk
Comments: visualisation of output from Gaussian 94
Computer System: SG


Name: Ulrike Salzner
Department: Chemistry
Organisation: Memorial University of Newfoundland
E-Mail: uli@smaug.physics.mun.ca
Comments: visualization of molecular orbitals
Computer System: Dec alpha


Name: Maho Nakata
Department: Quantum Chemistry
Organisation: Kyoto University
E-Mail: maho@quanta.synchem.kyoto-u.ac.jp
Comments:
Computer System: Dec alpha


Name: Fabio Mariotti
Department: Chimica
Organisation: University of Florence
E-Mail: mariotti@chim.unifi.it
Comments:
Computer System: Linux / AIX


Name: Daniel Ormsby
Department: The School Of Chemistry
Organisation: The University Of Leeds
E-Mail: D.Ormsby@chemistry.leeds.ac.uk
Comments: I've been using Molden to visualise Gaussian minimization runs,and plan to use it to create pictures for presentation purposes.
Computer System: PC and SUN versions currently in use


Name: Mauricio Carrillo Tripp
Department: Biophysics
Organisation: UNAM
E-Mail: tripp@usa.net
Comments: visualization of ab-initio calculations of biologicalmolecules structures
Computer System: hp


Name: Jason L. Stuber
Department: Applied Mathematics
Organisation: University of Waterloo
E-Mail: jlstuber@barrow.uwaterloo.ca
Comments: Examination of molecular orbitals from GAMESS.
Computer System: RISC/6000 (AIX)


Name: Xiao Zeng
Department: Chemistry
Organisation: Univ. of Nebraska
E-Mail: xzeng@unlinfo.unl.edu
Comments:
Computer System: SGI


Name: JESUS MENDIETA PEREZ
Department: LAB. DE COMPUTACION DE LA FAC. CS. QUIMICAS
Organisation: UNIVERSIDAD AUTONOMA DE PUEBLA
E-Mail: jmendiet@cen.buap.mx
Comments: We want to calculate and view the electronic density of differents steroids
Computer System: LINUX


Name: Jaeger
Department: Biochemistry
Organisation: Leeds University
E-Mail: jj@bmb.leeds.ac.uk
Comments: Inspection of models, modelling? and make slides
Computer System: IRIX and OSF


Name: Erik F.Y. Hom
Department: Chemistry/Biochemistry & Pharmacology
Organisation: UCSD
E-Mail: ehom@ucsd.edu
Comments: Examine e- density and DMA/ESP charge derivations,from GAMESS output.Related to MD forcefield parametrizations and as a tool in calculations on spectral propertiesof chromophores.
Computer System: SGI IRIX


Name: Andre H. Juffer
Department: Department of Biological Sciences
Organisation: The University of Calgary
E-Mail: andre@bioboss.bio.ucalgary.ca
Comments:
Computer System: SGI, R5000 to R10000, IRIX 5.3 to 6.2


Name: Jeff Dyason
Department: Medicinal Chemistry
Organisation: Victorian College of Pharmacy, Monash University
E-Mail: jeff.dyason@vcp.monash.edu.au
Comments: We are hoping to use Molden to produce animations ofsome simple vibrations for teaching undergraduatepharmacists about infrared spectroscopy.
Computer System: SGI Power Indigo 2


Name: David De Corte
Department: Inorganic Chemistry
Organisation: Univesity of Fribourg
E-Mail: David.Decorte@unifr.ch
Comments: Gaussian output vizualisation
Computer System: indigo2 (sgi)


Name: Robert Ponec
Department:
Organisation: Institute of Chemical Process Fundamentals, Czech Acad. Sci.
E-Mail: rponec@icpf.cas.cz
Comments: the visualisation of orbitals and densities from Mopac and Gaussian
Computer System: Pentium/Windows NT


Name: paul mazurkiewicz
Department: chemistry
Organisation: oregon state university
E-Mail: paul@scorpio.als.orst.edu
Comments: To visualize the highest occupied orbitals of radical anions calculated using density functional theory (Gaussian 94)
Computer System: DEC ALPHA


Name: Francesco Lelj
Department: Chemistry
Organisation: Universita' della Basilicata
E-Mail: lelj@unibas.it
Comments: Plot of orbital, density, normal mode Output from Gaussian94, Mopac Handling of Z matrix Plot on paper and files as Postscript or HPGL
Computer System: Dec Unix v4.0b


Name: Alessandra Degli Esposti
Department: Istituto di Spettroscopia Molecolare
Organisation: Consiglio nazionale delle Ricerche
E-Mail: alex@ism.bo.cnr.it
Comments: to have a look at it for the time being
Computer System: ibm risc600 : aix3.2.5 and aix4.1


Name: Djordje STOJAKOVIC
Department: General and Inorganic Chemistry
Organisation: Faculty of Technology and Metallurgy, Univ. of Belgrade
E-Mail: stojakovic@elab.tmf.bg.ac.yu
Comments: To visualise MOs obtained by GAMESS (U.S.A.) calculations.
Computer System: Intel Pentium PC


Name: Hans Heitele
Department: Physical Chemistry I
Organisation: Technical University of Munich
E-Mail: hheitele@zentrum.phys.chemie.tu-muenchen.de
Comments: display results of calculations using GAUSSIAN
Computer System: Linux


Name: Georg Jansen
Department: Institut fuer Theoretische Chemie
Organisation: Universitaet Duesseldorf
E-Mail: georg@theochem.uni-duesseldorf.de
Comments: Molecular orbital and normal mode analysis usingGaussian94 outputs.
Computer System: DEC alpha


Name: Andrei L. Tchougreeff
Department:
Organisation: Center for Computational Chemistry
E-Mail: andrei@keldysh.ru
Comments:
Computer System: Indigo-2


Name: M. G. Davidson
Department: Chemistry
Organisation: University of Durham
E-Mail: m.g.davidson@dur.ac.uk
Comments:
Computer System:


Name: Frederick P. Arnold, Jr.
Department: Chemistry
Organisation: University of Chicago
E-Mail: fparnold@solids.uchicago.edu
Comments: 3-d visualizations of Gaussian and Gamess-US output under Irixand WinNT. I also plan to use it for teaching purposses in teh computational chemistry lab.
Computer System: Irix 6.2, NT 4.0


Name: Wu, Chen-Chang
Department: chemistry
Organisation: National Chung-Hsing University
E-Mail: ccwu@mail.nchu.edu.tw
Comments: The MOLDEN will be well, If the Windows95 versionis abailable.
Computer System: aix (ibm/rs6000)


Name: Allouche A.R.
Department: physique (Batiment 205)
Organisation: Universite Claude Bernard
E-Mail: allouche@hplasim2.univ-lyon1.fr
Comments:
Computer System:


Name: Zoran Glasovac
Department: Dept. of Chemistry
Organisation: Rudjer Boskovic Institute
E-Mail: glasovac@emma.irb.hr
Comments: Viewing of MOs and analysis of outputs from quantum chemical calculations.
Computer System: LINUX


Name: ALMERICO
Department: FARMACOCHIMICO
Organisation: UNIVERSITY
E-Mail: farmachim@mbox.unipa.it
Comments:
Computer System:


Name: Atila Barna
Department: *
Organisation: *
E-Mail: atila@xtra.co.nz
Comments: I am a food technologist, and in the near future I will continue my studies majoring in chemistry. This program will be a great help to me. For now I have to explore it's features.
Computer System: Windows95


Name: Nancy Silva
Department: Biotecnologia
Organisation: ITESM
E-Mail: npsilva@academ01.mty.itesm.mx
Comments: Design of molecules, animation of chemical reactionstool for making organic synthesis
Computer System:


Name: P Spencer Davis
Department: Chemistry Department
Organisation: Ball State University
E-Mail: 00S0DAVIS@bsuvc.bsu.edu
Comments: To plot MO's generated by Gaussian 94 for windows. (mostly of transition metal complexs)and those generated by Gamess when we get our copy running.
Computer System: Windows-95


Name: Jose Molina Molina
Department: Grupo de Modelizacion y Diseño Molecular
Organisation: Universidad de Granada
E-Mail: jmolina@goliat.ugr.es
Comments: Display results from Gaussian ab initio calculationsof Transition metal complexes. Charge density, Laplacian and orbitals.
Computer System: LINUX


Name: Mario Alberto Duque Noreña
Department: Chemistry
Organisation: Universidad de Antioquia
E-Mail: mduque@catios.udea.edu.co
Comments: For Molecules Modeling
Computer System: PC Pentium 133 Windows 95


Name: Jürgen Kraus
Department: Institute of Organic Chemistry
Organisation: University of Würzburg
E-Mail: kraus@chemie.uni-wuerzburg.de
Comments:
Computer System: UniX (IRIX5.3), LinuX


Name: Dr. Javier Modrego
Department: Department of Inorganic Chemistry
Organisation: University of Zaragoza
E-Mail: modrego@posta.unizar.es
Comments: Analysis of the electronic structure of organometalliccompounds.
Computer System: Alpha + Open VMS


Name: Walter H. Jones
Department:
Organisation: Walter H. Jones, Consultant
E-Mail: wjones@roadrunner.com
Comments: I wish to take GAUSSIAN and MOPAC output from a remote computer and generate diagrams of the molecular structures on my PC, which is equippedwith LINUX.
Computer System:


Name: Jan Labanonowski
Department:
Organisation: Ohio Supercomputer Center
E-Mail: jkl@osc.edu
Comments: Visualizing molecules and MOs
Computer System: Sparc, SGI


Name: Teresa de Aguero
Department: Science
Organisation: ITESM-Campus Guadalajara
E-Mail: tdeaguer@campus.gda.itesm.mx
Comments:
Computer System:


Name: Piotr Rozyczko
Department: University of Florida
Organisation: Quantum Theory Project
E-Mail: piotr@qtp.ufl.edu
Comments: Front and back end to the ACESII program package.Modification of Molden to support ACESII format.
Computer System: SUN Solaris, IBM AIX


Name: Chris Dateo
Department: THERMOSCIENCES INSTITUTE
Organisation: ELORET INSTITUTE
E-Mail: dateo@pegasus.arc.nasa.gov
Comments: view mol geom, freqs, orbitals from electronic structure outputs
Computer System: IBM RISC/6000 595


Name: Alexei Nikolaev
Department: Chemistry
Organisation: University of Pittsburgh
E-Mail: anikol+@pitt.edu
Comments: visualizing vibrational modes, printing out pictures, editing gaussian input
Computer System: Irix


Name: r. g. linck
Department: Chemistry
Organisation: Smith College
E-Mail: rlinck@sophia.smith.edu
Comments: To view vibrations from Gaussian, and whateverelse it will do.
Computer System: SGI


Name: dr geza horvath
Department: pet centre
Organisation: university school of medicine
E-Mail: horvath@petindigo.atomki.hu
Comments:
Computer System: windows nt


Name: Dr. Satyam PRIYADARSHY
Department: CHEMISTRY
Organisation: UNIVERSITY OF PITTSBURGH
E-Mail: satyam@vms.cis.pitt.edu
Comments:
Computer System: SGI O2


Name: Kridtiyaporn Wongsa
Department: Chemistry Department, U. of Pittsburgh
Organisation: Chemistry REU 1997
E-Mail: kuitar+@pitt.edu
Comments: guessian output
Computer System: indigoirix


Name: webadmin
Department: Chemistry
Organisation: SKKU(Sung Kyun Kwan Univ.)
E-Mail: webadmin@chem.skku.ac.kr
Comments: Visualize GAMESS outputs.
Computer System: Solaris 2.5.1, Linux(slackware with g77)


Name: H. Hermann
Department: Chemistry
Organisation: Philipps University Marburg
E-Mail: hola@sg1512.chemie.uni-marburg.de
Comments: Use: Visualisation of quantum chemistry results (Gaussian94)
Computer System: SGI Indigo2 / IRIX 6.2


Name: Christian Silvio Pomelli
Department: Scienze
Organisation: Scuola Normale Superiore
E-Mail: cris@sns.it
Comments: visualizzation of MO from Gaussian, Reaction pathanimations,..
Computer System: irix


Name: Iraj Daizadeh
Department: Department of Chemistry
Organisation: University of California
E-Mail: daizadeh@indigo.ucdavis.edu
Comments: Display of surfaces and 3-d vector spaces.
Computer System: SGI IRIX6.2 R10000


Name: David R. Bell
Department: Life Science
Organisation: University of Nottingham
E-Mail: david.bell@nottingham.ac.uk
Comments: 3-d modelling of protein structures
Computer System: OS/2


Name: diraison
Department: chemistry
Organisation: indiana university
E-Mail: diraison@martyna4.chem.indiana.edu
Comments:
Computer System: sgi


Name: Edward M. Kober
Department: Theoretical Division
Organisation: Los Alamos National Laboratory
E-Mail: emk@lanl.gov
Comments: Assist in the analysis of output from Gaussianand MOPAC
Computer System: SGI


Name: Wladimiro Diaz Villanueva
Department: Departament de Quimica Fisica
Organisation: Univeristat de Valencia
E-Mail: Wladimiro.Diaz@uv.es
Comments: Displaying output from Gaussian94 and Gamess
Computer System: Unix (AIX, IRIX, Linux, etc...)


Name: Dr. Alexander Klinsky
Department: Department of theor. chemistry
Organisation: University of Vienna
E-Mail: alex.klinsky@scientist.com
Comments:
Computer System: Win95/NT, Linux, SGI


Name: Dr. Bjoern K. Alsberg
Department: Institute of Biological Sciences
Organisation: University of Wales
E-Mail: bka@aber.ac.uk
Comments:
Computer System: DEC Alpha


Name: Roberto Slepetys Ferreira
Department: Physical Chemistry
Organisation: University of Sao Paulo
E-Mail: slepetys@quim.iq.usp.br
Comments: I use Molden for prepare the Z matrix to submitto GAUSSIAN, and to visualize the outputs.
Computer System: DEC - Alpha 500


Name: richard hall
Department: theoretical chemistry
Organisation: university of manchester
E-Mail: r.hall@man.ac.uk
Comments: modification of z-matricesviewing of g94 input and output files
Computer System: HP-UX


Name: HIsao Ishii
Department: CAMD
Organisation: Louisiana State University
E-Mail: ishii@camd.lsu.edu
Comments: Visualization of MO pattern.
Computer System: Windows 95


Name: Robert Steward
Department: Biochemistry
Organisation: University of Cambridge
E-Mail: robert@cryst.bioc.cam.ac.uk
Comments: Viewing PDB protein structures
Computer System: Linux


Name: Joseph W. Bausch
Department: Chemistry
Organisation: Villanova University
E-Mail: bausch@chem.vill.edu
Comments: Plot normal vibrational modes
Computer System: IBM RS6000 (AIX 3.2.5)


Name: Dr. Michael A. Freitas
Department: Center for Interdisciplinary Magnetic Research
Organisation: National High Magnetic Field Laboratory
E-Mail: freitas@magnet.fsu.edu
Comments: Molden will be used as a GUI for GAMESS
Computer System: Win95/NT


Name: Juan Senosiain
Department: Materials Science & Eng
Organisation: Stanford University
E-Mail: senos@mail.internet.com.mx
Comments: Visualizing geometry ooptimizations made with Gaussian & PSGVB
Computer System: Windows95


Name: Gavin E Reid
Department: Protein Structure Laboratory
Organisation: Ludwig Institute for Cancer Research
E-Mail: reid@licre.ludwig.edu.au
Comments: Pre and post processing of GAMESS files
Computer System: PC Windows 95


Name: Fontanesi Claudio
Department: Chemistry
Organisation: Univ. of Modena
E-Mail: fontanes@c220.unimo.it
Comments: MO contour plot visualisation
Computer System: Silicon Graphics


Name: Elena Sineva
Department: Life Sciences
Organisation: Bar Ilan university
E-Mail: sinvae@brosh.cc.biu.ac.il
Comments: Visualization of pdb data files.
Computer System: AIX 3.2


Name: Maurizio Cossi
Department: Dipartimento di Chimica e Chimica Industriale
Organisation: Universita' di Pisa
E-Mail: cossi@ibm550.icqem.pi.cnr.it
Comments:
Computer System: DEC Alpha


Name: Jiri Dybal
Department: Vinrational and NMR Spectroscopy
Organisation: Inst. of Macromolecular Chemistry, Academy of Sciences
E-Mail: dybal@imc.cas.cz
Comments:
Computer System:


Name: Steve Trohalaki
Department: WL/MLPJ - Laser Hardening Branch
Organisation: Wright Lab, Materials Directorate
E-Mail: trohals@ml.wpafb.af.mil
Comments: well, i at least expect it to work,which it does not on my alpha running windowsNT 4.0.
Computer System: Alpha 250/WindowsNT 4.0


Name: JAHIMIN ASIK
Department: CHEMISTRY
Organisation: UNIVERSITI SAINS MALAYSIA
E-Mail: HAESLER@TM.NET.MY
Comments: I LIKE TO GET FREE COPY OF MOLDEN SOFTWARE FOR CHEMISTRY STRUCTURE DRAWING
Computer System:


Name: Jose Antonio Paixao
Department: Physics Department
Organisation: Univ. de Coimbra
E-Mail: jap@pollux.fis.uc.pt
Comments: I expect to use MOLDEN to analyse charge density distributions calculated by GAMESS. Congratulations! MOLDEN is a great program!
Computer System: LINUX


Name: rougeau
Department: ST/PR
Organisation: ensta
E-Mail: rougeau@ensta.fr
Comments: education
Computer System: Linux


Name: Kathleen A. Durkin
Department: College of Chemistry
Organisation: Molecular Graphics Facility
E-Mail: kdurkin@cchem.berkeley.edu
Comments: I plan to use this as a tool to interface withoutput from GAMESS (US) and Gaussian. includingvisualization of MO's etc
Computer System: sgi, ibm, dec (alpha, using digital unix)


Name: Gary Kedziora
Department: Chemistry
Organisation: Northwestern University
E-Mail: kedziora@chem.nwu.edu
Comments: Viewing orbitals from Gaussian, etc.
Computer System: SGI,AIX


Name: Dr George Froudakis
Department: Chemistry
Organisation: Univercity of Crete
E-Mail: frudakis@atlas.iesl.forth.gr
Comments:
Computer System:


Name: Dr. Peter Beichert
Department: Air Chemistry
Organisation: Alfred Wegener Institute for Polar and Marine Research
E-Mail: pbeichert@awi-bremerhaven.de
Comments: Visualisation of Gamess (US) calculations,especially vibrational modes
Computer System: OS/2, sun-solaris


Name: Dr. M. Daniel Glossman
Department: Departamento de Ciencias Basicas
Organisation: Universidad Nacional de Lujan
E-Mail: glossman@overnet.com.ar
Comments: Drawing molecular density plots as a result ofGaussian 94 runs
Computer System: Windows NT 4.0 Workstation


Name: Dr. Gottfried Olbrich
Department:
Organisation: Max-Planck-Institut fuer Strahlenchemie
E-Mail: olbrich@mpi-muelheim.mpg.de
Comments: Our interest lies in certain types of transitionmetal complexes. We intend to use MOLDEN for thevisualisation of molecular properties of thesesystems computed with the GAUSSIAN program.
Computer System: DEC Alpha, DEC UNIX


Name: Mauro Andrea
Department: Food Science and Technology Laboratory (University of Bologna)
Organisation: Cremonini
E-Mail: mauro@carbon.foodsci.unibo.it
Comments: I did not try it, yet. I'll tell you.Thanks for giving it free to universities!
Computer System: LINUX


Name: Aguinaldo Robinson de Souza
Department: Quimica
Organisation: Universidade Estadual Paulista
E-Mail: arobinso@bauru.unesp.br
Comments: Scientific Visualization of electron density inmolecules.
Computer System: UNIX


Name: Laszlo Udvardi
Department: Dept. of Theoretical Physiscs
Organisation: TU Budapest
E-Mail: udvardi@phy.bme.hu
Comments: Investigating the results of GAMESS runs, using Z-mat editor,viewing chemical structures,......
Computer System: HP-UX,Linux


Name: Yoon, C.J.
Department: Dept of Chem
Organisation: The Catholic University of Korea
E-Mail: cjyoon@www.cuk.ac.kr
Comments:
Computer System: SGI and Window NT


Name: Petr Holub
Department: Physical and Theoretical Chemistry
Organisation: Masaryk University
E-Mail: hopet@chemi.muni.cz
Comments: We use it for postprocessing Gaussian 94 outputfiles.
Computer System: Irix 6.3, Linux (RedHat 4.0), Win NT 4.0


Name: Li Hoi Ming
Department: Biochemistry
Organisation: Hong KOng University of Science & Technology
E-Mail: bc_lhm@stu.ust.hk
Comments: There is some bug of graphic display on Molden3.2 Win95 version
Computer System: Win95


Name: Peter Sturm
Department: Institute of Physical and Theoretical Chemistry, Prof. Kunz
Organisation: University of Regensburg
E-Mail: Peter.Sturm@chemie.uni-regensburg.de
Comments: Visualization of G94 calculated structures
Computer System: SGI, IRIX6.3 (O2)


Name: Zucheng Li
Department: Chemistry
Organisation: The University of Western Australia
E-Mail: li@crystal.uwa.edu.au
Comments: plot contour maps of charge or spin density of dome simple molecules.
Computer System: dec alpha


Name: Anna Pohl
Department: Dep. of Physics and Measurement Technology
Organisation:
E-Mail: anpoh@ifm.liu.se
Comments: Graphical illustration of molecular orbitals
Computer System: SUN


Name: Gerhard Marini
Department: Theoretical Chemistry
Organisation: University
E-Mail: Gerhard.Marini@uibk.ac.at
Comments: Visualisation of Molecules
Computer System: Linux


Name: Toshio Fujita
Department: Production Technology
Organisation: Showa Denko K.K.
E-Mail: fujita@csd.sdk.co.jp
Comments: Drawing Molecular Orbitals, calculated with Gaussian
Computer System: SGI PowerIndigo2


Name: Toshio Fujita
Department: Production Technology
Organisation: Showa Denko K.K.
E-Mail: fujita@csd.sdk.co.jp
Comments: Drawing Molecular Orbitals, calculated with Gaussian
Computer System: SGI PowerIndigo2


Name: Kelterer Anne-Marie
Department: Technical Univerity of Graz
Organisation: Institut fuer Physikal. und Theoret. Chemie
E-Mail: kelterer@fptchsg01.tu-graz.ac.at
Comments: Ball an Stick modeling of GAMESS and GAUSSIAN output and input molecules, ps-printing andincluding in TeX-Files, small memory for the printer
Computer System: SGI IRIX6.2


Name: Michael M. Dejmek
Department: Asymmetrische Katalyse
Organisation: Max-Planck-Gesellschaft
E-Mail: michael.dejmek@cks1.rz.uni-rostock.de
Comments: pre- and post-processing for ab initio calculations
Computer System: Linux


Name: C. Brian Kellogg
Department: Standard Reference Data and Modelling Group
Organisation: National Institute of Standards and Technology
E-Mail: charles.kellogg@nist.gov
Comments: I will primarily use Molden in order to visualize molecular orbitals, charge densitiesand vibrational frequencies for Gaussian94 and GamesUS outputs.
Computer System: Linux 2.0


Name: Andrei N. Vedernikov
Department: Chemical Faculty, Dep. Organic Chemistry
Organisation: Kazan State University
E-Mail: ave@ksu.ru
Comments: Plotting molecular models, electron density surfaces,orbital visualisation from GAMESS log files.
Computer System: DOS, Windows95


Name: Tomaz Tekavec
Department: Physical Chemistry at Department of Chemistry and Biochemistry
Organisation: University of Ljubljana, Faculty of Chemistry and Chemical Technology
E-Mail: tomaz.tekavec@uni-lj.si
Comments: It would be great if Molden could read Aces II output files.
Computer System: HP-UX, AIX


Name: Peter Boyd
Department: Chemistry
Organisation: The University of Auckland
E-Mail: cheboyd@ccu1.auckland.ac.nz
Comments: Visualisation of orbitals/molecular vibrations/monitoring progress of geometry optimizationsin Gaussian
Computer System: SGI/ PC windows NT


Name: john dickinson
Department: physical chemistry
Organisation: oxford university
E-Mail: jad@physchem.ox.ac.uk
Comments: to view gaussian output
Computer System: linux


Name: Stephen Doughty
Department: Pharmaceutical Chemistry
Organisation: University of Bradford
E-Mail: S.W.Doughty@bradford.ac.uk
Comments: Visualisation of MOPAC and GAMESS output.
Computer System: IRIX - Silicon Graphics Octane


Name: Victor M. F. Morais
Department: Departamento de Quimica
Organisation: Instituto de Ciencias Biomedicas Abel Salazar
E-Mail: vmmorais@icbas.up.pt
Comments: It is important for me to have the possibility of post-processing my ab-initio calculations on organicheterocyclic molecules.
Computer System: LINUX


Name: MAURO BARBOSA DE AMORIM
Department: NÚCLEO DE PESQUISAS DE PRODUTOS NATURAIS
Organisation: UNIVERSIDADE FEDERAL DO RIO DE JANEIRO
E-Mail: mbamorim@nppn.ufrj.br
Comments: Analysis and viewing (electron density, vibrational, charge) of calculated (MOPAC, GAUSSIAN)structures of carbohydrates and other organica molecules.
Computer System: RISC/6000


Name: Brent Krueger
Department: Department of Chemistry
Organisation: University of California, Berkeley
E-Mail: krieg@rainbow.uchicago.edu
Comments: Primarily to view electron and transition densities calculated with Gaussian 94
Computer System: SGI Irix 6.4


Name: Kenji Suzuki
Department: Applied of Chemical Physics
Organisation: The University of Electro Cominucations
E-Mail: ken@takeru.pc.uec.ac.jp
Comments: To draw MO from Gaussian and GAMESS Inputfiles.
Computer System: SunOS 5.4


Name: Christian Lennartz
Department: Theoretical Chemistry
Organisation: University of Bonn
E-Mail: lennartz@pcgate.thch.uni-bonn.de
Comments: Visualisation of mopac and gaussian input and output[structure,MO]. Plotting of orbitals is a little slow?
Computer System: Linux/P133


Name: Chun-Saeng Lee
Department: Chemistry
Organisation: The University of Auckland
E-Mail: kojika@unforgettable.com
Comments: AM1 calculcations
Computer System: win 3.x/95


Name: Jian Dong
Department: Dept Biochemistry
Organisation: Case Western Reserve University
E-Mail: jxd27@po.cwru.edu
Comments: analysis of results from Gaussian 94
Computer System: cvraman


Name: sini
Department: Chimie
Organisation: Universite de Cergy_Pontoise
E-Mail: sini@paris.u-cergy.fr
Comments: visualize MOs, electronic densities, electroctatic potentials and charges
Computer System: HP-UX


Name: Brian Stewart
Department: Chemistry & Chemical Engineering
Organisation: University of Paisley
E-Mail: brian@pasteur.paisley.ac.uk
Comments: Z-matrix editing for inputs to Gamess(UK) and GAMESS(US) and Gaussian.Visualisation of outputs: electron densities, geometry optimizations and normal modes.Hope to use Laplacian visualisation option.
Computer System: DEC-ALPHA AXP3000 OSF1


Name: Craig Robinson
Department: Aeronautics
Organisation: Imperial College
E-Mail: c.robinson@ic.ac.uk
Comments: Visualisation of GAMESS output. Using forderivation of collision cross sections forgaseous phase collisions
Computer System: HP 7xx


Name: Dr. Hans-Georg Mack
Department: Institute for Physical and Theoretical Chemistry
Organisation: University of Tuebingen
E-Mail: hans-georg.mack@uni-tuebingen.de
Comments: quick visualization of molecular structures and vibrations as obtained by g94!
Computer System: sgi/irix6.2


Name: Frank Mari
Department: Chemistry And Biochemistry
Organisation: Florida Atlantic University
E-Mail: fmari@acc.fau.edu
Comments: create pdb files for use in xplor
Computer System: n/a


Name: Carlos Gonzalez
Department: Physical and Chemical Properties Division
Organisation: National Institue of Standards and Technology
E-Mail: gonzalez@quantum.nist.gov
Comments: Visualization of molecular properties and geometries
Computer System:


Name: parel serge
Department: Prof. Leumann's group
Organisation: Departement for Chemistry
E-Mail: parel@ubeclu.unibe.ch
Comments: Visualizing and high quality printing from GAMESSand PDB files
Computer System: Indigo2 SGI workstation


Name: Giuseppe Milano
Department: Chemistry
Organisation: Universita' degli Studi di Salerno
E-Mail: pino@pcdidat1.csied.unisa.it
Comments: Molecular Structure and Molecular Orbitals Visualization
Computer System: O2


Name: Daniel Lawson
Department: Chemistry and Biochemistry
Organisation: Calvin College
E-Mail: dlawson@calvin.edu
Comments: Research and teaching.Interface to G94 and GAMESS
Computer System: AIX, SGI, & Linux


Name: Samuel A. Abrash
Department: James Franck Institute
Organisation: University of Chicago
E-Mail: sabrash@richmond.edu
Comments: Visualize output from MP2 and CIS calculations on Gaussian 94
Computer System: Silicon Graphics Workstation


Name: Dr Mark Buntine
Department: Department of Chemistry
Organisation: University of Adelaide
E-Mail: mbuntine@chemistry.adelaide.edu.au
Comments: I'm upgrading to MOlden3.2We use it a lot for viewing our Gaussian calcs.Keep up the good work :-)
Computer System: SGI Indigo^2 xZ


Name: Holmann V. Brand
Department: Los Alamos National Laboratory
Organisation: University of California
E-Mail: brand@lanl.gov
Comments: Will verify visually that input coordinates (for gaussian or mopac) are realistic
Computer System: SGI octane


Name: Chen Qiao
Department: IRC in Surface Science
Organisation: Liverpool University
E-Mail: Chen@ssci.liv.ac.uk
Comments:
Computer System: Sun,


Name: Wiktor Tatara
Department: Department of Chemistry
Organisation: Jagiellonian University
E-Mail: tatar@tichy.ch.uj.edu.pl
Comments: Visualization of results from Mopac,Gaussian and Gamess (normal modes and geometry).
Computer System: Linux Xwindows


Name: Shiang-Tai Lin
Department: Chemical Engineering
Organisation: University of Delaware
E-Mail: stlin@udel.edu
Comments: I am doing MCSCF calculation. I will use Moldento view the orbitals in order to choose correctorbitals in the active space.
Computer System: IBM RS6000


Name: Guelzim Abdelhalim
Department: CNRS URA 801 Physique
Organisation: Universite des Sciences et technologies de Lille
E-Mail: halim.guelzim@univ-lille1.fr
Comments: Dear Doctor,I have seen your Molden program at work on an X-Terminal and I was quite impressed by its ability to visualize quantum chemistry results. As Gamess user, I believe such a tool can help me for my research in NLO properties.I would greatly appreciate your help in getting aregistred copy of the Molden program. Thank you in advance best regards, Guelzim
Computer System: Digital Alpha Server 1000A (4/266) (UNIX DecOSF1)


Name: Karsten Malsch
Department: Inst. fuer Physikalische Chemie
Organisation: Universität zu Köln
E-Mail: karsten.malsch@uni-koeln.de
Comments: Visualization of structures and MOs
Computer System: DEC Alpha


Name: Pertti Kaihovaara
Department: Reseach Unit of Alcohol Diseases
Organisation: University of Helsinki
E-Mail: kaiho@sci.fi
Comments: My hobby is to study reactions of acetaldehyde with biomolecules and to find stable acetaldehydeadducts. I have only basic knowledge of quantum mechanical calculations but, anyway, I need Moldento display Mopac/Gamess output files.
Computer System: Windows 95/NT


Name: Piotr BARTA
Department: Faculty of Physics and Nuclear Techniques
Organisation: University of Mining and Metallurgy
E-Mail: pibar@uci.agh.edu.pl
Comments: work with Mopac and Gaussian output files:calculations on conjugated macromolecules and polymers
Computer System: Windows NT


Name: Dr. Raul Isea
Department: Chemistry Inorganic
Organisation: IVIC - Instituto Investigaciones Cientificas
E-Mail: risea@quimica.ivic.ve
Comments: Laplacian
Computer System: Windowns NT 4.0


Name: Stefan Schulz
Department: A2 Dynamics of molecular clusters
Organisation: Max Born Institut
E-Mail: sschulz@mbi-berlin.de
Comments: Visualization of GAUSSIAN 94 results
Computer System: HP-UX


Name: Prof. Axel D. Becke
Department: Chemistry
Organisation: Queen's University
E-Mail: beckea@qucdn.queensu.ca
Comments: Will use for undergraduate and graduate teaching in combination with PC GAMESS.An excellent viewer. Thank you VERY much.
Computer System: IBM RS6000 and PC (Windows95)


Name: Bernd Zimmermann
Department: Theoretische Chemie
Organisation: Universitaet Hannover
E-Mail: berni@ws4.theochem.uni-hannover.de
Comments: We will test it !
Computer System: SGI-IRIX5.3/IRIX6.2 ; IBM AIX3.2/AIX4.1 : HP UX-10


Name: Pablo Vitoria Garcia
Department: Quimica Inorganica, Facultad de Ciencias
Organisation: Universidad del Pais Vasco (UPV/EHU)
E-Mail: qibvigap@lg.ehu.es
Comments: Visualization of MO and vibrations from G94 output
Computer System: DEC AlphaServer 2100


Name: Nowak Wieslaw
Department: Physics
Organisation: N.Copernicus University
E-Mail: wiesiek@phys.uni.torun.pl
Comments: visuallisation of G94/DFT results and proteinstructures (pdb, teaching)
Computer System: SGI Indy R5000


Name: Alexander Likholyot
Department: Earth Sciences
Organisation: ETH (Swiss Federal Institute of Technology)
E-Mail: alik@no.junk.erdw.ethz.ch
Comments: pre- and post processing of Gaussian jobs
Computer System: windows NT


Name: Yuthana Tantirungrotechai
Department: chemistry
Organisation: University of cambridge
E-Mail: yt203@cus.cam.ac.uk
Comments: Laplacian plot & density plot
Computer System: Linux


Name: Thomas SIMONSON
Department: Structural Biology Laboratory
Organisation: Centre National pour la Recherche Scientifique
E-Mail: simonson@igbmc.u-strasbg
Comments:
Computer System: linux, irix


Name: Gilbert Hangartner
Department: Institute of Physical Chemistry
Organisation: University of Fribourg
E-Mail: Gilbert.Hangartner@unifr.ch
Comments: Use it as a convient tools for displaying outputs from QM programs, e.g. GAMES, GAUSSIAN maybe there is even a possibilty to use it with my favorite program DALTON?
Computer System: UNIX-SGI


Name: Dr. Asim K. Debnath
Department: Biochemical Virology Laboratory
Organisation: New York Blood Center
E-Mail: adebnath@server.nybc.org
Comments: We are non-profit organization and your program will be used for research applications. We appreciate your generosity for making this wonderful program available to us.
Computer System: SGI IRIX 6.2


Name: Ying Zou
Department: Experimental Physics II
Organisation: University Wuerzburg
E-Mail: zou@we2x43.physik.uni-wuerzburg.de
Comments: viewing the electronic densities
Computer System: AIX RS6000


Name: Andrea Zaliani
Department: Chemistry
Organisation: Italfarmaco Research Center
E-Mail: e028az02@area.ba.cnr.it
Comments: Sketching adn visualization tools
Computer System: SGI R4000


Name: Chong Hak Chae
Department: Department of Chemistry, College of Natural Sciences,
Organisation:
E-Mail: chchae@plaza1.snu.ac.kr
Comments: for analysis of Ab-Initio calculations
Computer System: SGI Indigo-II with IRIX 5.3


Name: José Antonio Palenzuela
Department: Departamento de Química Orgánica
Organisation: Universidad de La Laguna
E-Mail: jpalenz@ull.es
Comments: Visualization tool for semiempirical (MOPAC) and "ab initio" (GAMESS-US) calculations
Computer System: Pentium PC runing Windows95


Name: Paulo E. Abreu
Department: Chemistry
Organisation: University of Coimbra
E-Mail: qtabreu@gemini.ci.uc.pt
Comments: To visualise the output of GAMESS and GAUSSIAN
Computer System: DEC Unix, LinuX


Name: dan harris
Department:
Organisation: molecular research institute
E-Mail: dannil@purisima.molres.org
Comments: gaussian94 ---analysis
Computer System: linux/sgi


Name: dr. Ioan Silaghi-Dumitrescu
Department: Department of Chemistry
Organisation: Babes-Bolyai University
E-Mail: isi@chem.ubbcluj.ro
Comments: Display of Mopac/Gamess results
Computer System: linux/ PC-pentium


Name: MANIVET
Department: Biochemistry and Biophysic
Organisation: Assistance publique, hopitaux de Paris
E-Mail: philippe.manivet@lrb.ap-hop-paris.fr
Comments:
Computer System: silicon graphics irix 6.3


Name: Genta Sakane
Department: Department of Chemistry
Organisation: Okayama University of Science
E-Mail: gsakane@chem.ous.ac.jp
Comments:
Computer System: HP 730 GRX


Name: Richard E. Brown
Department: Chemistry
Organisation: Michigan Technological University
E-Mail: rebrown@mtu.edu
Comments: To use for analyzing results and setting up input of calculations with gaussian, games and HyperChem.
Computer System: SUN Solaris


Name: MIGUEL RAMIREZ MUÑOZ
Department: INSTITUTO UNIVERSITARIO DE BIO-ORGANICA
Organisation: UNIVERSIDAD DE LA LAGUNA
E-Mail: mramirez@ull.es
Comments: With the ab-initio package GAMESS-US in Window-95
Computer System:


Name: Dr David J. Willock
Department: Chemistry
Organisation: University of Wales, Cardiff
E-Mail: WillockDJ@cardiff.ac.uk
Comments: Display of Molecular orbitals from GAMESS outputs.
Computer System: SGI IndigoII


Name: Juan Omar Machuca-Herrera
Department: Química Inorgânica -Instituto de Química
Organisation: Universidade Federal do Rio de Janeiro
E-Mail: omar@iq.ufrj.br
Comments: I would like use Molden toghether with Gamess-USA for studies on Inorganic an Organo Metalic compounds
Computer System: Unix-PC FreeBSD and IBM RS6000


Name: Dr. Rochus Schmid
Department: Chem
Organisation: University of Calgary
E-Mail: rschmid@chem.ucalgary.ca
Comments: building and viewing structures for ADF calculations (BTW a method to visulaize ADF orbs and densities would be neat!)
Computer System: linux


Name: Andrus Metsala
Department: Bioorganic Chemistry
Organisation: Institute of Chemistry
E-Mail: andrus@boc.ic.ee
Comments: Gaussian and Mopac output files.
Computer System: Windows NT


Name: Paul Ecker
Department: Labo. d'Analyse des Materiaux
Organisation: Centre de Recherche Public - Centre Universitaire
E-Mail: ecker@crpcu.lu
Comments: I study the formation of ions in secondary ion mass spectrometry. Molden hopefully helps me to appreciate results produced with Gamess and Mopac. Some good-looking graphs in my PhD work may be helpful for the reader too.
Computer System: Cray CS6400, a 100% SUN compatible SPARC computer running under Solaris 2.4


Name: PLEKCHANOV E. A
Department: AEROMECHANICS AND FLIGHT ENGENIRING
Organisation: MIPT
E-Mail:
Comments: VISUALIZING OF MY COMPUTATIONS
Computer System:


Name: Joao C.P.P. Brandao
Department: Chemistry
Organisation: UCEH - Universidade do Algarve
E-Mail: jbrandao@ualg.pt
Comments: Look for the orbitals generated by GAMESS
Computer System: pc-Linux


Name: KHARROUBI Mohamed
Department: Chemistry
Organisation: Ecole Nationale Superieure de Chimie de Montpellier
E-Mail: kharroub@cit.enscm.fr
Comments:
Computer System:


Name: Yannis G. Lazarou
Department: Chemistry
Organisation: University of Crete
E-Mail: LAZAROU@TALOS.CC.UCH.GR
Comments: Visualize Molecular Orbitals and Electron Density from ab-initio calculations on small organic species by using GAMESS and GAUSSIAN 94 in the near future.
Computer System: OpenVMS, DEC OSF 1


Name: Wai-To Chan
Department: Chemistry
Organisation: York University
E-Mail: chan@gkcl.yorku.ca
Comments: Topological analysis of Bader Laplacian, one-electron potential (aka negative one-electron kinetic energy) and ELF
Computer System: SUN Solaris


Name: Dr. Vladimir Kharlanov
Department: Institute of Phys. and Theor. Chemistry
Organisation: Humboldt University of Berlin
E-Mail: vlad@asterix.chemie.hu-berlin.de
Comments:
Computer System: Windows 95/NT


Name: Greg Rechtsteiner
Department: Chemistry
Organisation: Northwestern University
E-Mail: g-recht@chem.nwu.edu
Comments: To visualize vibrations from Gaussian 94 calculations.
Computer System: NT / Linux


Name: Nicolai Lehnert
Department: Universitaet Mainz
Organisation: Institut fuer Anorganische und Analytische Chemie
E-Mail: nicolai@dacmza.chemie.uni-mainz.de
Comments: Animation of vibrations and geometry optimizations Visualization of orbitals and electron densities
Computer System: linux/unix


Name: Dr. David Gregory
Department: CRC Biomolecular Structure Unit
Organisation: Institute of Cancer Research
E-Mail: D.Gregory@icr.ac.uk
Comments: To gain information on the nature of protein/ligand interactions, necessary for successful anti-cancer drug design.
Computer System: SGI, OpenVMS


Name: Jess B. Sturgeon
Department: Chemistry
Organisation: University of Kansas
E-Mail: jess@ale.chem.ukans.edu
Comments: To try and visualize the systems we model. We are looking for structure in solids and liquids.
Computer System: AIX


Name: Feng XUE
Department: Department of Chemistry
Organisation: The Chinese University of Hong Kong
E-Mail: fengxue@cuhk.edu.hk
Comments: It would be better if it can support more input formats.
Computer System: SGI IRIX 5.3/6.2


Name: Mark Fox
Department: Chemistry Department
Organisation: University of Durham
E-Mail: m.a.fox@durham.ac.uk
Comments: Would like to look at molecular orbitals of optimized geometries from GAMESS-UK or -US output files
Computer System: Linux Slackware


Name: Adriano Martinelli
Department: Dipartimento di Scienze Farmaceutiche
Organisation: Universita' di Pisa
E-Mail: marti@farm.unipi.it
Comments: Visualization and analysis of Gaussian94 results
Computer System: SGI-O2


Name: Mehmet KABAK
Department: Physics Engineering
Organisation: Ankara University, Faculty of Sciences
E-Mail: kabak@science.ankara.edu.tr
Comments: Plot molecular orbitals, electron densities
Computer System: Windows-NT


Name: Gerry Lushington
Department:
Organisation: Ohio Supercomputer Center
E-Mail: gerald@osc.edu
Comments: research
Computer System: IRIX6.4


Name: Raul Cetina Rosado
Department: Quimica Teorica, Fisicoquimica
Organisation: Instituto de Quimica, Universidad Nacional Autonoma de Mexico
E-Mail: fjimenez@servidor.unam.mx
Comments: For investigation in the behavior of molecular orbitals in reaction mechanism.
Computer System: INDY


Name: Hidenori MATSUZAWA
Department: Department of Chemistry
Organisation: Chiba Institute of Technology
E-Mail: matuzawa@cc.it-chiba.ac.jp
Comments: Visualization of Gaussian 94 output
Computer System: HP 715/100XC


Name: R.B.SUNOJ
Department: DEPARTMENT OF ORGANIC CHEMISTRY
Organisation: INDIAN INSTITUTE OF SCIENCE, BANGALORE
E-Mail: srb@orgchem.iisc.ernet.in
Comments: I am a research student in computational chemistry group,department of organic chemistry. As my work is centered around the structural and energetic aspects, this may proove very useful for me. I would appreciate future correspondence with you and your organization. with thanks.
Computer System: unix(aix)


Name: Arleen M. Robles
Department: Drug & Alcohol
Organisation: American Indian Health & Services
E-Mail: idcret@aol.com
Comments: working towards physician assistant school and am a college student who also works at a Native American Health & Services center. I work in the drug and Alcohol department as a Program Assistant. I work with adults and youth. I want to better understand the chemistry and because of my learning disability I try to use any and all the help I can get.
Computer System:


Name: Pal Csaszar
Department: Chemistry
Organisation: University of Toronto
E-Mail: pcsaszar@alchemy.chem.utoronto.ca
Comments: analysis of Gaussian and Mopac outputs.
Computer System: SGI, PC


Name: Gyorgy Lendvay
Department: Central Research Institute for Chemistry
Organisation: Hungarian Academy of Sciences
E-Mail: lendvay@cric.chemres.hu
Comments: Visualization of geometries calculated by G94 in our studies of elementary gas-phase chemical reactions important in the atmosphere
Computer System: IBM RS/6000


Name: Dr. Ralf Koeppe
Department: Insitut fuer Anorganische Chemie
Organisation: Universitaet Karlsruhe (TH)
E-Mail: koeppe@achpc9.chemie.uni-karlsruhe.de
Comments: Ab initio calculations (turbomole/gaussian) are performed in order to confirm experimentally deduced results (ir-, raman- spectroscopy of highly reactive species; cryo chemistry in a preparative scale). Expected use: visualisation of structures and animation of vibrational modes. MO plots to gain a better insight into chemical bonding of small molecules.
Computer System: aix, irix, linux


Name: Ernie McGoran
Department: Chemistry/Biochemistry
Organisation: Eastern WA U
E-Mail: emcgoran@ewu.edu
Comments: Viewing Gaussian 94, AMSOL 6.1 input/output files.
Computer System: RS6000/ AIX4.2.1


Name: Dr. Holger Busse
Department: FB Chemie
Organisation: Freie Universität Berlin
E-Mail: busse@fu-berlin.de
Comments: visualizing Gaussian result
Computer System: Linux, HP, SGI


Name: Alberto Vela
Department: Chemistry
Organisation: Universidad Autonoma Metropolitana - Iztapalapa
E-Mail: ava@xanum.uam.mx
Comments: To interface it with deMon and Gaussian
Computer System: WINDOWS


Name: VICTOR GUALLAR
Department: CHEMISTRY
Organisation: UNIVERSITY OF CALIFORNIA,BERKELEY
E-Mail: victor@neon.cchem.berkeley.edu
Comments: Analisis of mainly gaussian94 an other abinitio and semiempiricals programns results.
Computer System: RS6000, AIX2.3 UNIX


Name: Xabier Lopez
Department: Laboratoire de Chimie Biophisique
Organisation: ILB-Universite Louis Pasteur
E-Mail: lopez@brel.u-strasbg.fr
Comments: Annalyze ouputs of GAMESS (Orbitals, Vibrational frequencies)
Computer System: HP-UX


Name: Francesco lelj
Department: Chemistry
Organisation: Università della Basilicata
E-Mail: lelj@unibas.it
Comments: DFT and ab intio calculation on metal complexes in Nitrogen fixation DFT calculation on porphyrin like molecules an thai complexes. Solvation effects on chemical reactivity
Computer System: W95, OSF/1, DEC Unix, AIX 4.0


Name: Per-Ola Norrby
Department: Department of Medicinal Chemistry
Organisation: Royal Danish School of Pharmacy
E-Mail: peon@medchem.dfh.dk
Comments: Gaussian94 if possible AMSOL
Computer System: SGI, Irix 6.2-6.4


Name: Jason A. Marshall
Department: WSU Chemistry Department
Organisation: Spec. Lab
E-Mail: jmarshal@wsunix.wsu.edu
Comments: Using Molden to view Gaussian output from calculations on transition metal complexes.
Computer System: Linux


Name: Derek Feichtinger
Department: Organic Chemistry
Organisation: ETH Zurich
E-Mail: feichtinger@org.chem.ethz.ch
Comments:
Computer System: aix/dec/irix


Name: Giuseppe Ermondi
Department: Dipartimento di Scienza e Tecnologia del Farmaco
Organisation: Universita' di Torino - Facolta' di Farmacia
E-Mail: ermondi@pharm.unito.it
Comments: I expect an interface to gaussian
Computer System: IRIX5.3 LINUX2.0.30


Name: Jens Mueller
Department: Institut fuer Anorganische Chemie
Organisation: RWTH Aachen
E-Mail: Jens.Mueller@ac.rwth-aachen.de
Comments: Display of MO's from GAUSSIAN outputs
Computer System: PC (Win95)


Name: Oosterbaan, W.D.
Department: Fysisch-Organische Chemie
Organisation: Universiteit Utrecht
E-Mail: W.D.Oosterbaan@chem.ruu.nl
Comments: display of electron density maps/orbital plots viewing of IR vibrations use in combination with MOPAC
Computer System: Linux


Name: James England
Department: Chemistry
Organisation: University of Surrey
E-Mail: jae@dirac.chem.surrey.ac.uk
Comments: Viewing electronic structure of molecules calculated with GAMESS UK and GAUSSIAN 94
Computer System: SGI Indy R4600 (IRIX 5.3)


Name: Dr. Telesca Rosanna
Department: Dipartimento di Chimica (Chemistry department)
Organisation: Universita' degli Studi della Basilicata
E-Mail: telesca@anassagora.unibas.it
Comments: Graphics, visualizing Gaussian output files and building Gaussian input files (Z-matrix and others)
Computer System: AlphaStation (Digital)


Name: Paul G. Wenthold
Department: Chemistry and Biochemistry
Organisation: Texas Tech University
E-Mail: qepgw@ttacs.ttu.edu
Comments: with Gaussian94
Computer System: WinNT


Name: Turner
Department:
Organisation: OCI University of Zurich
E-Mail: turner@ocisgi28.unizh.ch
Comments: Monitering optimisations and vibrations
Computer System: SGI O2 - irix 6.3


Name: Dan Harris
Department:
Organisation: Molecular Research Institute
E-Mail: dannil@purisima.molres.org
Comments: Graphical Analysis of G94/Gamess output for iron containing systems as well as model studies. Thank you for sharing your creativity with the Non-profit research community.
Computer System: Linux/Intel Pentium II/ Perhaps SGI as well...


Name: Marcel Nooijen
Department: Chemistry
Organisation: Princeton University
E-Mail: nooijen@princeton.edu
Comments: Use in my research group. Used in course on computational chemistry. Interface with Gaussian.
Computer System: IBM RS6000, SGI IP_22


Name: charwel
Department: chemistry
Organisation: louisiana state univeristy
E-Mail: charwel@chrs1.chem.lsu.edu
Comments: plot e denisty from gamess
Computer System: linux redhat4.2, IBM RS6k AIX 4


Name: Robert Squires
Department: Chemistry
Organisation: Purdue University
E-Mail: bob@glow.chem.purdue.edu
Comments: We would like to visualize the molecular orbitals and electron density output from Gaussian94 and MOPAC computations.
Computer System: Windows 95


Name: Ruslan O. Petrukhin
Department: Computational Chemistry lab.
Organisation: UUCT
E-Mail: ruslan@petruhin.dp.ua
Comments: Display MO that generated by GAMESS
Computer System: ppc-linux


Name: Lingao Zhang
Department: Materials Science Program
Organisation: Washington State University
E-Mail: lg_zhang@wsunix.wsu.edu
Comments:
Computer System: Unix Silicon Graphics


Name: Dr. Victor Ryaboy
Department: Chemistry
Organisation: Technion - Israel Institute of Technology
E-Mail: chr05vr@aluf.technion.ac.il
Comments:
Computer System: Digital Unix


Name: Dr Ian Cooper
Department: Chemistry
Organisation: University of Newcastle upon Tyne
E-Mail: ian.cooper@newcastle.ac.uk
Comments: Teaching quantum chemistry to undergraduates using visualization aspects.
Computer System: Sun


Name: Raul Perusquia
Department: Departamento de Fisica y Quimica Teorica
Organisation: UNAM
E-Mail: rulox@eros.pquim.unam.mx
Comments: visualization of calculations from GAMESS
Computer System: linux


Name: Timm Lankau
Department: Physikalische Chemie
Organisation: Universitart Hamburg
E-Mail: lankau@chemie.uni-hamburg.de
Comments: Analysing quantum chemical outputs
Computer System: IBM Power PC / AIX 4.2


Name: Marc Drouin
Department: Chemistry
Organisation: Universite de Sherbrooke
E-Mail: mdrouin@courrier.usherb.ca
Comments: Molden is used to display orbitals from GAMESS and MOPAC outputs
Computer System: LINUX & WIN_NT


Name: Ramchandra Watwe
Department: Chemical Engineering
Organisation: University of Wisconsin-Madison
E-Mail: watwe@cae.wisc.edu
Comments:
Computer System: dec-ALPHA


Name: Manuel Marquez
Department: Chemistry
Organisation: University of Connecticut
E-Mail: mmsammy@aol.com
Comments: visualization
Computer System: Gaussian


Name: Jakob W. Risch
Department: Rechenzentrum
Organisation: RWTH Aachen
E-Mail: risch@rz.rwth-aachen.de
Comments: Installation on a Workstation-Cluster on demmand. -- VRML Sounds very interesting. Compiling worked out fine on IRIX and AIX. HP-UX and Solaris comming soon.
Computer System: IRIX,AIX,HP-UX,Solaris


Name: carlo adamo
Department: department of chemistry
Organisation: university of napoli "Federico II"
E-Mail: adamo@chemna.dichi.unina.it
Comments: Analysis of Gaussian outputs
Computer System: IBM/risc66, DEC/Alpha


Name: Joseph Kim/W. Carl Lineberger
Department: JILA
Organisation: University of Colorado
E-Mail: jkim@jilau1.colorado.edu
Comments: Visualizing Gaussian 94 output.
Computer System: PC/Windows NT


Name: Theresa Windus
Department: Ohio State University
Organisation: Ohio Supercomputer Center
E-Mail: windus@osc.edu
Comments: Visualization of frequencies
Computer System: SGI


Name: In-Ja Lee
Department: Chemistry
Organisation: Dongguk University
E-Mail: lij@mail.dongguk.ac.kr
Comments: To draw the molecular structure by using the GAMESS output.
Computer System:


Name: Rinaldo Poli
Department: Chemistry/LSEO
Organisation: Universite' de Bourgogne
E-Mail: poli@u-bourgogne.fr
Comments: Interface with gaussian94 outputs. I am particularly interested in analyzing the MO's and generating relevant outputs for open-shell systems. I hope this program can do that!
Computer System: SGI


Name: Fabrice Leclerc
Department: Departement of Chemistry
Organisation: Harvard University
E-Mail: leclerc@tammy.harvard.edu
Comments: read gaussian ouput
Computer System: SGI


Name: Norihito Ohmori
Department: Physical Chemistry
Organisation: Chiba University
E-Mail: ohmori@p.chiba-u.ac.jp
Comments: Visualization of results of Gaussian94
Computer System: DEC Alpha


Name: Derek Higgins
Department: Computing Service
Organisation: University of Glasgow
E-Mail: derek@udcf.gla.ac.uk
Comments: Graphical visualisation of output from GAMESS
Computer System: SUN/Solaris


Name: Lars G.M. Pettersson
Department: Quantum Chemistry/Dept of Physics
Organisation: Stockholm University
E-Mail: LGM@PHYSTO.SE
Comments: Teaching purposes analyzing Gaussian output during lecture sessions
Computer System: Windows 95/NT


Name: Till Kuehn
Department: organic chemistry
Organisation: Universitaet Frankfurt a.M
E-Mail: tk@org.chemie.uni-frankfurt.de
Comments: Visualization of Gaussian outputs
Computer System: IRIX / LINUX


Name:
Department: Phycal chemistry University of malaga
Organisation:
E-Mail: soto@sci.uma.es
Comments: PLot if molecular orbitals obtained from Gaussian and Mopac
Computer System: VMS


Name: Phillip Sinclair
Department: Inorganic Chemistry and Catalysis
Organisation: Technical University of Eindhoven
E-Mail: tgakps@chem.tue.nl
Comments: displaying g94 output files and possibly incorporating them into windows applications.
Computer System: unix


Name: Tadeusz Kulinski
Department:
Organisation: Institute of Bioorganic Chemistry, Polish Academy of Sciences
E-Mail: tadkul@ibch.poznan.pl
Comments:
Computer System: windows95


Name: George Parks
Department: Corporate Technology
Organisation: Phillips Petroleum Company
E-Mail: gdp@ppco.com
Comments: Visualization of Gaussian structures on PC
Computer System: Windows


Name: Martin J. Field
Department: Laboratoire de Dynamique Moleculaire
Organisation: Institut de Biologie Structurale J. P. Ebel
E-Mail: mjfield@ibs.fr
Comments: Visualization of MOPAC output
Computer System: HP-UX


Name: José M. Saá
Department: Quimica
Organisation: Universidad de las Islas Baleares
E-Mail: saa@gauss.uib.es
Comments: Gaussian94 calculations Mopac calculations Ampac calculations
Computer System: DEC 3700 Digital


Name: M. deVos
Department:
Organisation:
E-Mail: m.vos@chem.leidenuniv.nl
Comments:
Computer System: Microsoft


Name: Lee, Chang Hoon
Department: Pharmacology
Organisation: Pacific R&D
E-Mail: lch65@yahoo.com
Comments: I want to connection with MOPAC
Computer System: win95


Name: ALFONSO
Department: CIENCIAS
Organisation: INSTITUTO DE ENSEÑANZA SECUNDARIA
E-Mail:
Comments:
Computer System: PC PENTIUM


Name: Jeremy Dombroski
Department: Sales and Marketing
Organisation: Q-Chem, Inc.
E-Mail: jack@q-chem.com
Comments: Evaluation for recommendation to customers
Computer System: AIX


Name: Matthew Sykes
Department: Chemistry
Organisation: Flinders University of South Australia
E-Mail: Matthew.Sykes@flinders.edu.au
Comments: Electron density plots of MO's (and related)
Computer System: SILICON GRAPHICS (IRIX)


Name: Ricardo L. Longo
Department: Departamento de Quimica Fundamental
Organisation: Universidade Federal de Pernambuco
E-Mail: longo@npd.ufpe.br
Comments: Generate plots and figures of electronic density and reaction profiles under Gamess and Mopac93.
Computer System: ibm/6000-AIX-3.2 and SUN-UltraSpark1-Solaris2.5


Name: Jay W. Ponder
Department: Biochemistry and Molecular Biophysics
Organisation: Washington University School of Medicine
E-Mail: ponder@dasher.wustl.edu
Comments: viewing electron density from GAMESS-US
Computer System: DEC Alpha OSF, SGI, Linux Intel, Linux Alpha


Name: Dariusz Pogocki
Department: Radiation Chemistry
Organisation: Institute of Nuclear Chemistry and Technology
E-Mail: pogo@orange.ichtj.waw.pl
Comments:
Computer System: Windows'95/NT


Name: Maria Gabriella Severin
Department: Dipartimento di Chimica Fisica
Organisation: Universita` di Padova
E-Mail: severin@pdchfi.chfi.unipd.it
Comments: As an editor for z-matrix. Visualisation of outputs from MOPAC, Gamess-US, etc...
Computer System: Pentium 200M - Linux


Name: Hiroyoshi Nagae
Department:
Organisation: Kobe City University of Foreign Studies
E-Mail: nagae@inst.kobe-cufs.ac.jp
Comments:
Computer System: Linux


Name: Lefkidis George
Department: Dept. of Applied and Theoretical Chemistry
Organisation: Aristotle University of Thessaloniki
E-Mail: lefkidis@chem.auth.gr
Comments: I use MOLDEN to mainly describe Gaussian as well as MOPAC output. I first use MM2 to achieve an acceptable geometry and then run either PM3 or HF/STO-3G (I run very big molecules) Most of the times I just need the HOMO-LUMO set and/or a Density Plot. Occasionaly I use it to determine what type of vibration a certain frequency represents.
Computer System: Linux


Name: Manfred Keller
Department: Inst. f. Org. Chemie u. Biochemie
Organisation: Universitaet Freiburg
E-Mail: keller@ocd.chemie.uni-freiburg.de
Comments: Visualization fo Gaussian output
Computer System: SGI


Name: Conrad Newton
Department: Department of Mathematical Physics
Organisation: Lund University
E-Mail: newton@matfys.lth.se
Comments: To view molecular vibrations from a Gaussian output file.
Computer System: DEC Alpha (UNIX Workstation)


Name: N.Haggett
Department: Chemistry
Organisation: University of Surrey
E-Mail: chp1nh@surrey.ac.uk
Comments: Make quality images, view Gaussian output
Computer System: UNIX


Name: David DE VITO
Department: Physical Chemistry Department
Organisation: University of Geneva
E-Mail: david.devito@chiphy.unige.ch
Comments: Visualisation of my GAUSSIAN outputs.
Computer System: UNIX, Windows 95, Windows NT


Name: Pawel Rempala
Department: Chemistry
Organisation: University of Nevada, Reno
E-Mail: rempala@chem.unr.edu
Comments: Interface to Gaussian94
Computer System: IRIX


Name: Ienco Andrea
Department: ISSECC
Organisation: CNR
E-Mail: ienco@cacao.issecc.fi.cnr.it
Comments: a tool for interpretation ab-initio calculation
Computer System: DEC Alpha


Name: Krzysztof Radacki
Department: Anorganische Chemie
Organisation: RWTH Aachen
E-Mail: krys.radacki@ac.rwth-aachen.de
Comments: grpahic interface for Gaussian (we have bought GaussView but who said that it must be the best ;)
Computer System: pc-linux


Name: André Roidrigue
Department: chimie
Organisation: Universite d'Ottawa
E-Mail: rodrigueandre@videotron.ca
Comments: with gamess et mopac
Computer System: windows 95, pentium


Name: MAUREL
Department:
Organisation: ITODYS
E-Mail: maurel@calypso.itodys.jussieu.fr
Comments:
Computer System: Windows or Silicon Graphics


Name: Dr. Frank Rebentrost
Department:
Organisation: MPI Quantenoptik
E-Mail: far@mpq.mpg.de
Comments: plot electron densities of molecules
Computer System:


Name: Elio Cecchetto
Department: LRMP
Organisation: University of Pau
E-Mail: elio.cecchetto@univ-pau.fr
Comments: creating files for webpages
Computer System: unix


Name: Pawel Kedzierski
Department: Institute of Physical and Theoretical Chemistry
Organisation: Wroclaw University of Technology
E-Mail: P.Kedzierski@pkmk486.ch.pwr.wroc.pl
Comments: Processing inputs for and results from Gaussian. Making nice pictures. Calculating electrostatic potentials.
Computer System: Linux, IRIX


Name: evgeny plekhanoff
Department: Department of Aeromechanics and Flight Engeneering
Organisation: Moscow Institute of Phisics and Technology
E-Mail: eugene@deep.falt.ru
Comments:
Computer System: alpha-server 400 4/233


Name: Hisao Takeuchi
Department: Yokohama Research Center / Materials Science & Engineering Laboratory
Organisation: Mitsubishi Chemical Corporation
E-Mail: take@rc.m-kagaku.co.jp
Comments: Visualization of MO calculations Great Software !!
Computer System: DEC Alpha / Digital Unix


Name: Snjezana Pecur
Department: FK, LKKAK
Organisation: Institute Rudjer Boskovic
E-Mail: snjezana@joker.irb.hr
Comments:
Computer System: Linux


Name: illien
Department: Chemistry
Organisation: University of Nantes
E-Mail: illien@chimie.univ-nantes.fr
Comments: front of gaussian
Computer System: SGI-indy


Name: Bryan Kim
Department: Chemical Engineering
Organisation: State University of New York at Buffalo
E-Mail: bhkim@eng.buffalo.edu
Comments: I expect to view gaussian and gamess files and animate vibrational modes. Initially, the software will be installed on my personal Linux machine, and I will recommend the installation for the university Sun/SGI clusters for use by all the quantum chemistry people if I like it.
Computer System: Linux


Name: Victor Polo
Department: Quimica Fisica
Organisation: Universidad de Zaragoza
E-Mail: 317837@docto.unizar.es
Comments:
Computer System: Linux


Name: Prof R Guy Woolley
Department: Chemistry & Physics
Organisation: Nottingham Trent University
E-Mail: rgw@maths.ntu.ac.uk
Comments: I am a user of Gaussian94; my interest is in ab initio calculations but my colleagues in Organic Chemistry are interested in calculations on large molecules and hope I can help them with semi-empirical calculations (mndo,am1 etc); a graphical visualization package is essential for them!
Computer System: SUN workstation


Name: Kowal Marek
Department: Teoretical and Phisical Chemistry
Organisation: University of Technology in Wroclaw (Breslau)
E-Mail: kowal@anest.am.wroc.pl
Comments: It's a great program, THANKS a LOT !!! However there is a little thing I'd like to see in one of next versions of Molden - it is a more friendly (simple) chem-editor (mouse driven)
Computer System: Linux (ver. 2.0.30)


Name: Frank Broda
Department: Biochemie
Organisation: Martin-Luther-Universitaet Halle
E-Mail: Broda@biochemtech.uni-halle.de
Comments: Displaying molecules & orbitals
Computer System: Linux


Name: Arthur H. Edwards
Department: Department of Electrical Engineering
Organisation: University of North Carolina at Charlotte
E-Mail: edwards@uncc.edu
Comments: Display of greometry and electronic structure of defects in insulators and semiconductors.
Computer System: Linux


Name: Željko Debeljak
Department: Dept. of Pharmaceutical Chemistry
Organisation: Faculty of Pharmacy and Biochemistry, Un. of Zagreb
E-Mail: zeljko@nana.pharma.hr
Comments: Gaussian Input - file creation & Output - file Analysis
Computer System: Win NT


Name: Michal Husak
Department: Department of Solid State Chemistry
Organisation: VSCHT Praha
E-Mail: husakm@vscht.cz
Comments: Simulation of charge an el. densities in drug molecules.
Computer System: IRIX 6.2 WIN 95


Name: Jose' Richard Baptista Gomes
Department: Chemistry
Organisation: Faculty of Sciences - University of Porto
E-Mail: jrgomes@fc.up.pt
Comments: See results of gamess and gaussian.
Computer System: SGI


Name: Wang Ro Lee
Department: Dept. of Chem. Eng.
Organisation: Iri National College of A&T
E-Mail: wrlee@mahan.iri-c.ac.kr
Comments: Molecular Structure & Electron Density
Computer System: SGI O2 Workstation


Name: Joan Cano Boquera
Department: Laboratoire de Chimie Inorganique
Organisation: Universite Paris-Sud and CNRS
E-Mail: jocano@icmo.u-psud.fr
Comments: To display molecular density and geometry from de gaussian files
Computer System: linux


Name: Dr. Raul Crespo
Department: Quimica Fisica
Organisation: Universitat de Valencia
E-Mail: Raul.Crespo@uv.es
Comments:
Computer System: SGI


Name: Deepak Singh
Department: Chemistry
Organisation: Syracuse University
E-Mail: desingh@syr.edu
Comments: electronic structure visualization
Computer System: DEC-alpha


Name: Torulf Lind
Department: Physics, Stockholm
Organisation: Quantum Chemistry
E-Mail: torulf@physto.se
Comments: Gaussian94 output. Frequency modes and the movie option are very useful to us!
Computer System: Digital Unix, 49 platforms(Dec 3000/300 to PWS 500/500)!


Name: Vasili S. Znamenski
Department: Computer Science Department
Organisation: Kabardino-Balkarian State University
E-Mail: zvs@kbsu.nalchik.su
Comments:
Computer System: Windows 95


Name: D. Blunk
Department: Institute of Organich Chemistry
Organisation: Technische Universitaet Berlin
E-Mail: blunk@chem.tu-berlin.de
Comments: Mainly as GUI for MOPAC.
Computer System: Linux, AIX, Irix5.3


Name: Carl Mark Windsor
Department: Computational and Theoretical Chemistry
Organisation: University of Manchester
E-Mail: mbdtscw@cerberus.mcc.ac.uk
Comments: General structure generation, manipulation and visualisation Visualisation of G94 optimisation steps and orbital plots
Computer System: Irix 6.4 Origin 2000 + Linux


Name: Torgil Vangberg
Department: Chemistry
Organisation: University of Tromso
E-Mail: torgil@chem.uit.no
Comments: Various visualizations
Computer System: PC, SGI


Name: Holger Thiesemann
Department: Institut f. Physikalische Chemie
Organisation: Universitaet Kiel
E-Mail: holger.thiesemann@phc.uni-kiel.de
Comments: Showing reaction pathes for GAUSSIAN GAMESS calculations visualizing vibrational modes
Computer System: IBM RS6000 AIX 4.1


Name: Hofmann, Dieter
Department: CTG
Organisation: GKSS
E-Mail: hofmann@gkss.de
Comments: Visualization and conversion in different format of Z-matrix and of outputs of semiempirical programs
Computer System: Silicon Graphics


Name: Dale Morrall
Department: Chemistry and Physics
Organisation: Nottingham Trent University
E-Mail: dpmorrall@hotmail.com
Comments: I am a 3rd year student at the Nottingham Trent University and am using the Gaussian Package to do a computational study on a a number of molecules for my 3rd year project. I hope to import the output from Gaussian into the Molden package in order for me to view the molecular structure and to alter the bond angles between atoms.
Computer System: Student


Name: Dr. Dirk Singer
Department: Chemistry
Organisation: Howard University
E-Mail: dsinger@polymer.chem.howard.edu
Comments: Visualization of Gaussian94 and GamessUK results, checking of input files for these packages, and related tasks in ongoing research.
Computer System: Silicon Graphics Indigo2, Linux PC


Name: Jim Rustad
Department: EMSL
Organisation: Pacific Northwest National Lab
E-Mail: jr_rustad@pnl.gov
Comments: use to view results of gaussian output
Computer System: linux, sgi, sun


Name: Dr. Alessia Bacchi
Department: Dipartimento di Chimica Generale ed Inorganica
Organisation: University of Parma - Italy
E-Mail: bacchi@ipruniv.cce.unipr.it
Comments: Visualization tool for Gaussian and Mopac output
Computer System: irix6.2, windows95


Name: Dr Michael Antolovich
Department: School of Science & Technology
Organisation: Charles Sturt University
E-Mail: mantolovich@csu.edu.au
Comments: I would like to use it for displaying GAMESS data (will be looking at modelling Inorganic Complexes)
Computer System: SGI/Ultrix


Name: Jeff Luci
Department: Chemistry
Organisation: University of Iowa
E-Mail: jluci@blue.weeg.uiowa
Comments: Read GAMESS and Gaussian log files for display and electrostatic pot. maps. By the way: THANK YOU THANK YOU THANK YOU! This is going to help my research more than anyting I could wish for!
Computer System: SGI, IRIX 5.1


Name: tfcheng
Department: Life Science
Organisation: NTHU
E-Mail: tfcheng@doom2.life.nthu.edu.tw
Comments: which is fast and can render POV-RAY.
Computer System: Freebsd, DEC, AIX, IRIX


Name: Istvan Vago
Department: Organic Chemistry
Organisation: Technical University of Budapest
E-Mail: ivago@goliat.eik.bme.hu
Comments: makeing and editing Z matrixes examining g94 calculated results
Computer System: linux


Name: Yaroslav Tikhiy
Department: Chemistry Department
Organisation: Moscow State University
E-Mail: yar@comp.chem.msu.su
Comments: Building initial geometries for Mopac & Gamess and visualising optmized geometries and vibrations... Well, I'll see what else one can gain from MolDen :-)
Computer System: Solaris, FreeBSD


Name: Takashi Kyotani
Department: Institute for Chemical Reaction Science
Organisation: Tohoku University
E-Mail: kyotani@icrs.tohoku.ac.jp
Comments: Viewing MO shape
Computer System: SGI


Name: Feng Tian
Department: department of chemistry
Organisation: University of Florida
E-Mail: tian@chem.ufl.edu
Comments: use as a graphic interface for gamess and guassin
Computer System: window 95


Name: Adrian Roitberg
Department: Biotechnology Division
Organisation: NIST
E-Mail: adrian@nist.gov
Comments:
Computer System: SGI


Name: Krueger
Department: Institut fuer Pharmazeutische Chemie
Organisation: Philipps-Universitaet Marburg
E-Mail: krueger2@mailer.uni-marburg.de
Comments: viewing abinitio calculations
Computer System: linux Irix6.3


Name: Christoph Helma
Department:
Organisation: Inst. f. Tumor Biology - Cancer Research
E-Mail: Christoph.Helma@univie.ac.at
Comments: Visualization of Mopac calculations
Computer System: PC/Linux


Name: dr. Mario Rosati
Department:
Organisation: CASPUR
E-Mail: rosati@caspur.it
Comments: Post-processing of Tight Binding Molecular Dynamics jobs
Computer System: Linux on Pentium Pro/Pentium II


Name: Roger P. Pawlowski
Department: Chemical Engineering
Organisation: State University of New York at Buffalo
E-Mail: rpp@eng.buffalo.edu
Comments: Visualize transition state structures of thermal decomposition reactions
Computer System: Silicon Graphics O2/R10000 processor


Name: DOMERCQ
Department: Institut des Materiaux de Nantes
Organisation: Centre National de la Recherche Scientifique
E-Mail: domercq@cnrs-imn.fr
Comments: I want to draw the result of my calculations with Gaussian 94. In particular I want to have the drawing of the molecular orbitals of the molecules.
Computer System: VMS


Name: Ken Wilson
Department: Department of Chemistry
Organisation: Quantum Theory Project
E-Mail: wilson@qtp.ufl.edu
Comments: I intend to write an ACES2 interface to MOLDEN
Computer System: X


Name: WANG DE-PING
Department: CHEMISTRY
Organisation: HKUST
E-Mail: chwang@chsg3.ust.hk
Comments: Gassian compatible
Computer System: sgi


Name: Georgia McGaughey
Department: Structural Biology
Organisation: Wyeth-Ayerst Research
E-Mail: mcgaugg@war.wyeth.com
Comments: visualization of orbitals
Computer System: SGI


Name: X. Dosi Veiga
Department: Dep. Fisica Aplicada
Organisation: University of Vigo - Campus de Ourense
E-Mail: dosi@irisfa.uvigo.es
Comments: Representation of moleculas from the Gaussian output. Calculation of interatomic distances. Visualizatio of diferent kinds of molecular surfaces.
Computer System: SGI - Irix 6.3


Name: Nathan Stevens
Department: none
Organisation: none
E-Mail: nat250@asan.com
Comments: To view the force output of mopac7
Computer System: Linux


Name: Joe Rongen
Department:
Organisation:
E-Mail: joerongen@mgenerations.net
Comments: Interface to GAMESS...if possible.
Computer System: Windows 95


Name: Daniel T. Stoelting
Department: Chemistry Department
Organisation: Virginia State University
E-Mail: dstoelt@vsu.edu
Comments: I expect to visualize molecular orbitals and also molecular vibrations. Mopac 7.0 and Gamess-US are running on my computer and were compiled using f2c/gcc (djgppv2). Molden is the missing link for me since it will enable me to see such things as MO's and vibrations.
Computer System: Windows 95


Name: Nadja Saendig
Department: Chemistry
Organisation: University of Tasmania
E-Mail: nsaendig@postoffice.sandybay.utas.edu.au
Comments:
Computer System: PC


Name: Chan, Siu Pang
Department: Chemistry
Organisation: The Chinese University of Hong Kong
E-Mail: s971531@mailserv.cuhk.edu.hk
Comments: I am now using Molden(I forget whether I have registed or not), It is quite good.
Computer System: DEC Alpha


Name: park seung woo
Department: chemistry
Organisation: student of koreauniversity
E-Mail: sci0529@tiger.korea.ac.kr
Comments: I have gaussian 94w I want to view molculstructur
Computer System:


Name: Xavier Barril
Department: Bioquimica i Biologia Molecular
Organisation: Universitat de Barcelona
E-Mail: xavi@sgbq.bq.ub.es
Comments: Analysis of Gaussian outputs
Computer System: SGI


Name: Rafael R. Pappalardo
Department: Dept. Quimica Fisica
Organisation: Univ. de Sevilla
E-Mail: rafapa@cica.es
Comments: To visualize Gaussian outputs
Computer System: Linux, HP-UX


Name: Jorge Trindade
Department: Physics
Organisation: Univ. Coimbra
E-Mail: alberto@hydra.ci.uc.pt
Comments: visualization of 3D structures from Gauss and Gamess
Computer System: Pentium II


Name: Lars Freund
Department: Westfaelische Wilhelms-Universitaet Muenster
Organisation: Organisch-Chemisches Institut
E-Mail: freund@uni-muenster.de
Comments: Visualization of quantum chemical calculations.
Computer System: RS6000/AIX


Name: Helio F. Dos Santos
Department: Department of Chemistry
Organisation: Universidade Federal de Minas Gerais
E-Mail: helius@netuno.qui.ufmg.br
Comments: My main interest in Molden is to visualize and analyse the Molecular Orbitals.
Computer System: SGI, SUN and IBM


Name: Nigel W. Moriarty
Department: Mechanical Eng.
Organisation: UC Berkeley
E-Mail: moriarty@newton.berkeley.edu
Comments: MO display
Computer System: RS6k


Name: Jean-Luc Barras
Department: Inorgnic Chemistry
Organisation: University of Fribourg (switzerland)
E-Mail: jean-luc.barras@unifr.ch
Comments: Coords interface w/ADF
Computer System: linux


Name: Dr. David W. Price
Department: Chemistry
Organisation: University of Reading
E-Mail: d.w.price@reading.ac.uk
Comments: viewing output from ADF / GAMESS 95
Computer System: Indy (IRIX 5.3) / PC (windows95)


Name: Imre G. Csizmadia
Department: Chemistry
Organisation: University of Toronto
E-Mail: icsizmad@alchemy.chem.utoronto.ca
Comments: Molecular visualization of Gaussian 92/94 output
Computer System: Silicon Graphics Workstation (IRIX 6.2)


Name: Mark A. Zottola
Department:
Organisation: Alabama Supercomputer Center
E-Mail: asnmaz01@asc.edu
Comments: Personal use for visualization of transition states and structures from QM calcs
Computer System: SGI, Cray


Name: Alexey Yakovlev
Department: Quantum Chemistry Lab
Organisation: Inst of Catalysis, Russian Academy of Sciences
E-Mail: jack@catalysis.nsk.su
Comments: In scientific work.
Computer System: Wintel


Name: Pedersen,Bjoern
Department: Inst. org. Chemie und Biochemie LS I
Organisation: TU Muenchen
E-Mail: bjoern@poseidon.org.chemie.tu-muenchen.de
Comments: Visualization of Gamess-US output
Computer System: Linux 2.0.33/ Pentium90


Name: Jun-Liang Chen
Department:
Organisation: Synchrotron Radiation Research center
E-Mail: jlchen@alpha1.srrc.gov.tw
Comments:
Computer System: SGI


Name: Dr Rob DEETH
Department: Chemistry
Organisation: University of Warwick
E-Mail: r.j.deeth@warwick.ac.uk
Comments: Interface to ADF for MO plotting
Computer System: DEC


Name: Beukes, Jon
Department: Spectroscopy
Organisation: University of Copenhagen, 1/7-98 Univ. of Oslo
E-Mail: beukes@kjemi.uio.no
Comments: For illustrations of Gaussian calculations and vibrations.
Computer System: WindowsNT / Unix


Name: Stan Zygmunt
Department: Physics and Astronomy
Organisation: Valparaiso University
E-Mail: szygmunt@exodus.valpo.edu
Comments: I use GAUSSIAN extensively to investigate hydrocarbon cracking reactions in zeolites. I would like to use Molden to visualize the output I get from GAUSSIAN.
Computer System: DEC alpha


Name: Jennifer Green
Department: Inorganic Chemistry
Organisation: University of Oxford
E-Mail: jennifer.green@chem.ox.ac.uk
Comments: To examine the output from electronic structure calculation in particular ADF and Gaussian
Computer System: Silicon Graphics


Name: F A Hamprecht
Department: Chemistry
Organisation: ETHZ
E-Mail: fah@igc.phys.chem.ethz.ch
Comments: visualization of normal mode analyses and of MOs
Computer System: unix/linux


Name: Nick Fotopoulos
Department: Chem. Eng. Biospectroscopy lab.
Organisation: Nat. Technical Univ. of Athens
E-Mail: foton263@central.ntua.gr
Comments: I use the package for the normal modes (GAMESS US) visualization and IR/RAMAN bands assignment Also, drug shape and ESP surface analysis. Your package helps me a lot. Thank you !!
Computer System: PC(Cyrix 166+, 32Mb) Win95 with Xwin server


Name: Paul D Siders
Department: Chemistry
Organisation: University of Minnesota - Duluth
E-Mail: psiders@d.umn.edu
Comments: view GAMESS output files view xyz and pdf files on web sites
Computer System: RedHat Linux 5 on Pentium


Name: Dr. S.R. Gadre
Department: Dept. of Chenistry
Organisation: University of Pune
E-Mail: tcg@chem.unipune.ernet.in
Comments: Visualising O/P of Gamess and Gaussian.
Computer System: Unix


Name: Tom Fenn
Department: Center for Cancer Pharmacology
Organisation: University of Pennsylvania School of Medicine
E-Mail: tom@spirit.gcrc.upenn.edu
Comments: Visualizing results of DRC calculations done with GAMESS-US
Computer System: WinNT


Name: Dr. Thomas Uhlich
Department: QE2
Organisation: Schering AG
E-Mail: Thomas.Uhlich@schering.de
Comments:
Computer System: Windows


Name: Friedemann Kleint
Department: Chemical Ecotoxicology
Organisation: Centre for Environmental Research
E-Mail: fk@uoe.ufz.de
Comments: Mainly generation of Ball&Stick pictures of pesticides, PCB's,HCH's, possibly some calculations
Computer System: AIX 4.1.4, IRIX


Name: Talbot Francis
Department: Departement für Chemie und Biochemie
Organisation: University of Bern
E-Mail: talbot@clu.iac.unibe.ch
Comments: View Gaussian94 inputs and outputs.
Computer System: linux


Name: Angelo Sironi
Department: Chimica Strutturale e Stereochimica Inorganica
Organisation: Universita' degli Studi di Milano
E-Mail: angelo@csmtbo.mi.cnr.it
Comments: visualization of gaussian results
Computer System: windows NT and unix


Name: Przemyslaw Czyryca
Department: Inst.of Applied Radiation Chemistry
Organisation: Technical University of Lodz
E-Mail: pczyryca@itr2.p.lodz.pl
Comments: Visualization of Gaussian output
Computer System: Irix, Linux


Name: Siegmar Kardinal
Department: Synthesechemie
Organisation: Universitaet Wien
E-Mail: kardinal@methin.orc.univie.ac.at
Comments: Visualization of results from Gaussian 94
Computer System: SGI O2 R5000SC


Name: Peteris Prusis
Department: Farmacology
Organisation: Uppsala University
E-Mail: Peteris.Prusis@farmbio.uu.se
Comments: Analyse results from GAMESS and MOPAC.
Computer System: IRIX


Name: JUAN F. RIVAS-SILVA
Department: INSTITUTO DE FISICA
Organisation: UNIVERSIDAD AUTONOMA DE PUEBLA
E-Mail: rivas@sirio.ifuap.buap.mx
Comments: Visualization of outputs (gaussian, gamess, ...) of models in our research in crystals with dopants by quantum chemical methods.
Computer System: HP-RISC MOD. 715/100XC


Name: Sing Yin Chen
Department: Chemistry
Organisation: FU-JEN CATHOLIC UNIVERSITY
E-Mail: shin@hermes.fju.edu.tw
Comments: To display output of Gaussian. I hope that the future version of molden will support ECP(effective core potential) calculation
Computer System: IBM RS6000 AIX


Name: Ataualpa Albert Carmo Braga
Department: CHEMISTRY
Organisation: UNICAMP
E-Mail: atabraga@cenapad.unicamp.br
Comments: I need of Molden for anything I do
Computer System: aix


Name: William L. Karney
Department: Chemistry
Organisation: University of San Francisco
E-Mail: karney@usfca.edu
Comments: I intend to use Molden to visualize structures, orbitals, vibrations, and reaction paths from Gaussian output.
Computer System: SGI O2 or OCTANE


Name: Patrick Fleming
Department: Department of chemistry
Organisation: California State University, Sacramento
E-Mail: pfleming@csus.edu
Comments: prepare jobs for mopac and gaussian
Computer System: Xwindows


Name: Wolfgang utz
Department: Inst. for Pharmacy and Food Chemistry
Organisation: University of Erlangen-Nuremberg
E-Mail: utz@pharmazie.uni-erlangen.de
Comments: read in gaussian and gamess files, showin electorn density,etc.
Computer System: Irix6.2


Name: Sung Kwang Lee
Department: Department of Chemistry
Organisation: Yonsei University
E-Mail: lsk@alchemy.yonsei.ac.kr
Comments:
Computer System: Pentium II 233MHz (Windows NT 4.0)


Name: Martin Fuesslein
Department: Department of Organic Chemistry
Organisation: Technical University of Berlin
E-Mail: mf@wap0105.chem.tu-berlin.de
Comments: Use of Molden as graphical interface for the visualization of GAMESS output files
Computer System: w95/P90/24MB


Name: paul
Department:
Organisation: private
E-Mail:
Comments:
Computer System:


Name: Matthew L. Peterson
Department: Chemistry
Organisation: Carnegie Mellon University
E-Mail: mp5y@cyrus.andrew.cmu.edu
Comments: Visuallization of Gaussian input and output.
Computer System: WindowsNT


Name: Patric Benziher
Department: Catalysis Division
Organisation: National Chemical Laboratory
E-Mail: pbenzi@hotmail.com
Comments: To view the input and output files of GAMESS calculations
Computer System: SGI


Name: Jaroslaw Tomczak
Department: Chemistry
Organisation: University of Wroclaw
E-Mail: jatom@gerwazy.chem.uni.wroc.pl
Comments: visualisation of normal coordinates
Computer System: Solarix 2.5.1 x86


Name: Renzo Cimiraglia
Department: Chemistry
Organisation: University
E-Mail: cim@dns.unife.it
Comments: I'll use Molden to visualize orbital plots, to look at vibrational normal modes, to see the convergence in geometry optimizations.
Computer System: Linux


Name: Maurizio Dal Colle
Department: Chemistry
Organisation: University of Ferrara
E-Mail: mau@dns.unife.it
Comments: MO visualisation
Computer System: Macintosh, Linux


Name: One-Sun Lee
Department: Chemistry
Organisation: Seoul National University
E-Mail: onesun@bachem.snu.ac.kr
Comments: I was surprised.
Computer System: irix


Name: Rohit Medhekar
Department: Chemistry
Organisation: The University of Iowa
E-Mail: medhekar@terminator.chem.uiowa.edu
Comments: To view Gaussian and Gamess output files
Computer System: SGI


Name: Alexander A. Bagatur'yants
Department: Laboratory of Quantum Chemistry and Molecular Simulation
Organisation: Photochemistry Center, Russian Academy of Sciences
E-Mail: sasha@icp.rssi.ru
Comments: Visualization of GAMESS, Gaussian, and ADF outputs
Computer System: Windows NT (Pentium), Digital Unix (DEC alpha station)


Name: Kazuhide Nakata
Department: Chemistry
Organisation: Faculty of Liberal Arts, Hosei University
E-Mail: nakata@fujimi.hosei.ac.jp
Comments:
Computer System: Alpha


Name: Isabella Baccarelli
Department: Chemistry, University La Sapienza
Organisation: Theoretical Physical Chemistry Group
E-Mail: baccarel@caspur.it
Comments: Drawing models of protonated Helium clusters
Computer System:


Name: Frank Schmauder
Department: Institute of Physical Chemistry
Organisation: University
E-Mail: franks@heineken.chemie.uni-dortmund.de
Comments: To prepare and to handle input of Gaussian jobs
Computer System: Linux and AIX


Name: Balint Sztaray
Department: General and Inorganic Chemistry
Organisation: ELTE
E-Mail: sztaray@para.chem.elte.hu
Comments: Visualization of ACES/Gaussian calculations.
Computer System: Linux


Name: TEULER Jean-Marie
Department: Coordination Chimie
Organisation: CNRS-IDRIS
E-Mail: teuler@idris.fr
Comments: As the Chemical Software Administator of IDRIS, I intend to make Molden available to my users and to support them in using it. I have already been contacted by a group of users who want to calculate ESP charges after an ADF "densf" calculation.
Computer System: IBM RS/6000 (AIX 4.2)


Name: Jun Li
Department: Department of Chemistry
Organisation: The Ohio State University
E-Mail: li.208@osu.edu
Comments: To plot the electron density and vibrational modes from ADF and GAMESS output
Computer System: SGI workstation or PC Pentium


Name: William R. Kearney, Ph.D.
Department: College of Medicine NMR Facility
Organisation: University of Iowa
E-Mail: william-kearney@uiowa.edu
Comments: We will use Molden to view changes in the properties of models of the active sites of enzymes as we change computational methods and the external environment. We use GAUSSIAN 94, GAMESS and DALTON.
Computer System: sgi octane


Name: Tino Fernández Blanco
Department: Química-Física y Analitica
Organisation: Facultad de Quimica; Universidad de Oviedo
E-Mail: Tino@dwarf1.quimica.uniovi.es
Comments: To draw and plot molecules from Gaussian and Gamess output, what is very usefull in my ab-initio works
Computer System: Varies


Name: Pieretti Andrea
Department: Chimica
Organisation: University of Rome "La Sapienza"
E-Mail: a.pieretti@caspur.it
Comments: Use it in conjunction with Gaussian9*
Computer System: unix/linux


Name: Martin Diefenbach
Department: Institut fuer Organische Chemie
Organisation: Technische Universitaet Berlin
E-Mail: mad@vodka.chem.tu-berlin.de
Comments: Read G94 outputs: - Opt/Freq/IRC etc. for - small/medium molecules (5-20 Atoms) and - visualize Geometries, - measure distances and angles - or animate + Optimizations + Harmonic Frequencies (TS!) + Reaction Paths
Computer System: LINUX 2.0 (i686), AIX 4.2 (RS/6000); perhaps: WinNT


Name: James A. Dix
Department: Chemistry
Organisation: State University of New York
E-Mail: dix@binghamton.edu
Comments: plot output of PCGAMESS
Computer System: win95


Name: Luis F.Pacios
Department: Quimica y Bioquimica
Organisation: Universidad Politecnica de Madrid
E-Mail: lfp@atenea.montes.upm.es
Comments: Processing electron densities computed with GAUSSIAN: displaying electron density maps and intersting them into biomolecular models of electrostatic interactions
Computer System: UNIX (DEC/Alpha)


Name: Marianna Fanti
Department: Department of Chemistry
Organisation: Universita' di Bologna
E-Mail: marianna@ciam.unibo.it
Comments: I'm going to use molden to view and build molcules starting from fragments; to plot orbitals and to create nice pictures.
Computer System: pentium II biprocessor


Name: Max Valdez
Department: Facultad de Ciencias
Organisation: Universidad Autnoma del Estado de Morelos
E-Mail: maxvalde@servm.fc.uaem.mx
Comments: As a tool to understand and make calculations in quantum mechanics. I'm a Ph.D. Student in Chemistry
Computer System: Powerc


Name: Pourtois
Department: Service de Chimie des Matriaux Nouveaux
Organisation: University of Mons-Hainaut
E-Mail: Geoffrey@averell.umh.ac.be
Comments: Vizualization of Gaussian output
Computer System: IBM-RS6000 (UNIX), LINUX, NT4.0


Name: H. Bögel
Department: Inst. Phys. Chem. (Merseburg)
Organisation: University of Halle
E-Mail: boegel@chemie.uni-halle.de
Comments: Visualization of GAUSSIAN94 (98) data
Computer System: SGI


Name: Michael Edelwirth
Department: Institut fuer Kristallographie
Organisation: University of Munich
E-Mail: m.edelwirth@lrz.uni-muenchen.de
Comments: show output from mopac93 and gaussian runs.
Computer System: Windows 95


Name: Leonard Jeloaica
Department: GROUP OF ATOMIC AND MOLECULAR PHYSICS
Organisation: UNIVERSITY OF BUCHAREST, FACULTY OF PHYSICS
E-Mail: jeloaica@alpha1.infim.ro
Comments: I study the adsorption of the atoms and molecules on the solids' surfaces. I already used the ADF code to investigate the atomic H on the cluster-model of the graphite surface and I wish to try for comparison the classical ab-initio and semi-empirical methods.
Computer System: PENTIUM PC/LINUX


Name: Rajesh Lakhanpal
Department: Textiles
Organisation: UMIST
E-Mail: mcti3rl1@fs1.li.umist.ac.uk
Comments: electron density mapping of various dyestuffs.
Computer System: Windows 95


Name: Beregovaya Irina V.
Department: Siberian Branch of the Russian Academy of Sciences
Organisation: Novosibirsk Institute of Organic Chemistry
E-Mail: ira@sun1.nioch.nsc.ru
Comments: We shall use MOLDEN in conjunction with GAMESS US and MOPAC programms.
Computer System: SUN


Name: Cory Bystrom
Department: Chemistry
Organisation: Institute of Molecuar Biology
E-Mail:
Comments: Gamess output viewing
Computer System: Apple Macintosh running MkLinux/LinuxPPC


Name: Furet Eric
Department: laboratoire de physicochimie
Organisation: E.N.S.C.R.
E-Mail: furet@univ-rennes1.fr
Comments: - preparation and modification of gaussian input files - processing of output files (MO's, forces, ...)
Computer System: IBM RS/6000


Name:
Department: Organic Chemistry and Applyied
Organisation:
E-Mail: tesi@cocibm.ch.unito.it
Comments: I use molden with the output of gaussian 94 to have an easy ready of it
Computer System:


Name: Mihaly Mezei
Department: Physiology & Biophysics
Organisation: Mount Sinai School of Medicine
E-Mail: mezei@inka.mssm.edu
Comments: To support currentab initio calculations (using both Gamess and Gaussian) by visualizing the orbitals.
Computer System: SGI


Name: Elly Karlsen
Department: Chemistry
Organisation: University of Oslo
E-Mail: Elly.Karlsen@kjemi.uio.no
Comments:
Computer System: SGI


Name: Glauco Tonachini
Department: Chimica generale ed organica applicata
Organisation: University of Torino
E-Mail: glauco@a500.ch.unito.it
Comments: Visualizing vibrations with Gaussian94
Computer System: alpha 500/500


Name: ROSMUS Pavel
Department: Theoretical Chemistry
Organisation: Univeresity of Marne la Vallee
E-Mail: p@rosmus.univ-mlv.fr
Comments: Difference density plots
Computer System: HP


Name: Sehoon, Kim
Department: Fiber and Polymer Science
Organisation: Seoul National Univ.
E-Mail: kimse@plaza1.snu.ac.kr
Comments:
Computer System: PC Window95


Name: Dr Dimitrios Galanakis
Department: Department of Pharmaceutical Chemistry, School of Pharmacy
Organisation: Aristotelian University of Thessaloniki
E-Mail: dg@oxygen.pharm.auth.gr
Comments: Analysis of drug molecules.
Computer System: SG O2 IRIX 6.3, LINUX


Name: R. Graham Cooks
Department: Chemistry
Organisation: Purdue University
E-Mail: cooks@purdue.edu
Comments:
Computer System: Windows95


Name: Hugo A Garcia
Department:
Organisation: Object Chemistry
E-Mail: elhugo@objectchemistry.com
Comments: Educational chemical visualization
Computer System: Solaris (x86,sparc)


Name: Ronan Rodrgigues Braga
Department: fisics
Organisation: UNB
E-Mail: ronan@.fis.unb.br
Comments:
Computer System:


Name: Danica Dolnicar
Department: Department of Chemical Education and Informatics
Organisation: University of Ljubljana
E-Mail: danica.dolnicar@uni-lj.si
Comments: I intend to use Molden (together with Mopac, Chime, Symphony and VRML) as a tool for visualisaton (and animation) of chemical structures on the www.
Computer System: Windows 95


Name: Albert-Jan Brouwer
Department: Dept. of molecular physics
Organisation: Leiden University
E-Mail: ajbrouw@rulhm1.LeidenUniv.nl
Comments: Plotting of molecular orbitals so as to select relevant ones for CI calculations.
Computer System: RS6000


Name: David Lauvergnat
Department: Chemistry
Organisation: University College London
E-Mail: uccadml@ucl.ac.uk
Comments: view the orbitals
Computer System: Power Challenge


Name: Andreas Lammers
Department: Physikalische und Theoretiosche Chemie
Organisation: Technische Universität München
E-Mail: Andreas.Lammers@ch.tum.de
Comments: Visualsizing results from gaussian
Computer System: irix6, linux, DEC-OSF


Name: Motohiro NAKANO
Department: Department of Applied Chemistry
Organisation: Osaka University
E-Mail: moto@ch.wani.osaka-u.ac.jp
Comments: I want to draw contour map of orbitals.
Computer System: DEC Alpha workstation


Name: Burda Jaroslav
Department: Dep. Chem. Phys.
Organisation: Charles University
E-Mail: burda@quantum.karlov.mff.cuni.cz
Comments:
Computer System: SGI


Name: Dr. Stephan Matzinger
Department: Institute of Physical Chemistry
Organisation: University of Fribourg
E-Mail: Stephan.Matzinger@unifr.ch
Comments:
Computer System: SGI, Linux


Name: Dr Nik Kaltsoyannis
Department: Chemistry
Organisation: University College London
E-Mail: n.kaltsoyannis@ucl.ac.uk
Comments: Mainly for the visualisation of ADF results, especially MO countour plots
Computer System: RS6000/DEC Alpha


Name: Takamasa Nonaka
Department: BioEngineering
Organisation: Nagaoka University of Technology
E-Mail: nonaka@vos.nagaokaut.ac.jp
Comments: graphical representation of electron density distribution
Computer System: SGI R400 INDIGO


Name: Minoru OTANI
Department: Material physics
Organisation: Osaka University, Japan
E-Mail: otani@aquarius.mp.es.osaka-u.ac.jp
Comments: Gaussian 94
Computer System: SGI ORIGN200


Name: David Chalmers
Department: Medicinal Chemistry
Organisation: Victorian College of Pharmacy
E-Mail: david.chalmers@vcp.monash.edu.au
Comments: To edit z-matricies to facilitated the calculation of reaction coordinates using Mopac
Computer System: SGI


Name: Ralf Flaig
Department: Chemistry Department
Organisation: Institute for Crystallography, Free University of Berlin
E-Mail: flaig@chemie.fu-berlin.de
Comments: analysis of electron densities
Computer System: SGI, Linux


Name: Robert Sternal
Department: Faculty of Physics
Organisation: Student's society of physics
E-Mail: robster@ifg.amu.edu.pl
Comments:
Computer System: Linux 2.0


Name: Paul J. Gane
Department: Dept. of Pharmacology
Organisation: Drug Design Group
E-Mail: pjg29@cam.ac.uk
Comments: electrostatic calcn of small molecules
Computer System: Indigo2 IMPACT 10000


Name: Andreas Pape
Department: Chemistry
Organisation: University of Konstanz
E-Mail: apape@sg12.chemie.uni-konstanz.de
Comments: Visualization of the results of ab-initio- and density functional calculations on main group element phosphine complexes
Computer System: SGI-Irix, Linux x86


Name: Elmar Neumann
Department: Anorganische Chemie II
Organisation: Universität - GH - Siegen
E-Mail: neumann2@student.uni.siegen.de
Comments: Visualisation of GAMESS, GAUSSIAN, ADF and SHELX out- and inputfiles
Computer System: LINUX


Name: Harvey Lieberman
Department: Chemical Engineering
Organisation: UMIST
E-Mail: h.lieberman@umist.ac.uk
Comments: Visualising results from Gaussian calculations.
Computer System: SGI


Name: Moigno
Department: Chemistry and physics
Organisation: University
E-Mail: Damien@phys.chem.uni-wuerzburg.de
Comments:
Computer System: DEC


Name: Francisco Ruiz
Department: oo
Organisation: puc
E-Mail: faruiz@puc.cl
Comments: tt
Computer System: windows nt


Name: Jeffrey W. Hudgens
Department: Chemical and Physical Processes Division
Organisation: NIST
E-Mail: hudgens@nist.gov
Comments: z-matrix design, structure visualizations--mostly for free radicals
Computer System: Windows NT 4.0


Name: Essam Hammam
Department: Chemistry Department
Organisation: Southampton University
E-Mail: e.hammam@soton.ac.uk
Comments: Visulization of Gaussian94, Mopac, and Vamp results.
Computer System: Unix


Name: Ahmed El-Nahas
Department: Applied Chemistry
Organisation: University of Tokyo
E-Mail: elnahas@qcl.t.u-tokyo.ac.jp
Comments:
Computer System:


Name: Oliver Hill
Department: Chemistry
Organisation: University of Cape Town
E-Mail: semper@dircon.co.uk
Comments: View GAMESS results. Structures, Orbitals and normal modes of vibration.
Computer System: Windows95


Name: Mitsuo Koshi
Department: Dept. of chemical system engineering
Organisation: University of Tokyo
E-Mail: koshi@chemsys.t.u-tokyo.ac.jp
Comments:
Computer System: Unix (FreeBSD and Linux)


Name: Yun. Sung-sin
Department: University of Inchon
Organisation: Department of Chemistry
E-Mail: eoqjf@hanmail.net
Comments:
Computer System: IBM RS/6000 AIX4.2


Name: Dott. Giovanni Ghigo
Department: Chimica Generale e Organica Applicata
Organisation: Universita' di Torino
E-Mail: ghigo@cocibm.ch.unito.it
Comments: Usefull tool to PES study to check minimums and transition structures. Tool to get figures for PhD Dissertation.
Computer System: Alpha 500, RISC 6000, PC Pentium


Name: Jose Kaneti
Department: Physical Organic Chemistry
Organisation: Institute of Organic Chemistry
E-Mail: kaneti@orgchm.bas.bg
Comments:
Computer System: x586, Linux


Name: James Hess
Department: Dept. of Chemistry and Biochemistry
Organisation: University of Delaware
E-Mail: hess@udel.edu
Comments: Visualization of Gaussian94 output, mostly to visualize vibrational modes and to follow geometry optimizations.
Computer System: SGI


Name: Stuart A Macgregor
Department: Chemistry
Organisation: Heriot-Watt University
E-Mail: S.A.Macgregor@hw.ac.uk
Comments: For molecular orbital plotting/electron density maps using output from ADF
Computer System: SunUltra2


Name: Dr. Matthias Mann
Department: Institut fuer Organische Chemie
Organisation: TU Dresden
E-Mail: mann@coch03.chm.tu-dresden.de
Comments: Visualization of Gaussian / Gamess(US) results (Orbitals, Geometries, ...)
Computer System: AIX, LINUX


Name: Bill King
Department: Biochemistry and Molecular Biology
Organisation: Australian National University
E-Mail: Bill.King@anu.edu.au
Comments: Visualisation of MOs
Computer System: SGI, Linux?


Name: lou massa
Department: Chemistry
Organisation: Hunter College, CUNY
E-Mail: LMassa@Hunter.CUNY>edu
Comments: Visualization of Quantum Crystallography
Computer System: PC


Name: TURINICI GABRIEL
Department:
Organisation: ASCI
E-Mail: turinici@asci.fr
Comments: an easy way to navigate through all the GAMESS options
Computer System: linux and IBM


Name: Laboratory for the Structure of Matter
Department: Code 6030
Organisation: Naval Research Lab
E-Mail: deschamp@harker.nrl.navy.mil
Comments: Visualization of Gaussian output and comparison of various models for electron density
Computer System: SGI and Windows-95 (if available)


Name: Michi-toshi Hayashi
Department: N/A
Organisation: Inst. of Atomic and Molecular Sciences
E-Mail: atmyh@po.iams.sinica.edu.tw
Comments: Plot molecular orbitals
Computer System: windows95


Name: Angelo Vargas
Department: Biochemisches Institut der Universitat Zurich
Organisation: University of Zurich
E-Mail: vargas@bioc.unizh.ch
Comments: Z-Matrix editor Graphical interface for Gaussian 94
Computer System: SGI Iris Indigo XS24 4000


Name: Thomas Holme
Department: Chemistry
Organisation: University of Wisconsin Milwaukee
E-Mail: tholme@uwm.edu
Comments: Visualization of GAMESS US output files including vibrational frequencies and molecular orbitals.
Computer System: SunOs - Solaris 2.6


Name: Nicolas Saettel
Department: Chemistry
Organisation: University of Notre Dame
E-Mail: nsaettel@nd.edu
Comments: for all the visualisation of my gaussian calculations
Computer System: UNIX and IRIX


Name: Xuan-Ming Duan
Department: Biopolym. Phys. Lab.
Organisation: Inst. Phys. Chem. Res. (RIKEN)
E-Mail: xmduan@postman.riken.go.jp
Comments: I hope use MOLDEN for showing the results obtained from MOPAC and Gaussian.
Computer System: MachTen on Power Mac


Name: Victor H. Ortega Barreda
Department: Laboratorio de Computo Cientifico
Organisation: Facultad de Cs de la computacion- BUAP
E-Mail: vhortega@quitel.cs.buap.mx
Comments: i expect what giveme more information about of my calcules in g94, graphics, etc...
Computer System: linux


Name: canan
Department: chemistry
Organisation: hacettepe university
E-Mail: canan@eti.cc.hun.edu.tr
Comments: using molden programme to creat Z-Matrix for mopac and gamess. And also to anlyzes the results which are produce by these methods.
Computer System: research


Name: MUSTAFA MITHAT BAYRAMGIL
Department: PHYSICS ENGINEERING
Organisation: HACETTEPE UNIVERSITY
E-Mail: mmb@hun.edu.tr
Comments: to create z_matrix for mopac programme
Computer System: win95


Name: jack flanagan
Department: Molecular Medicine
Organisation: john curtin school of medical research, Australian National University
E-Mail: jack.flanagan@anu.edu.au
Comments: Veiwing oup of gaussian in pdb form at the moment and electron densities when i get round to it. Might even get to veiwing orbitals and using them
Computer System: win95


Name: Dr. B.W. Tattershall
Department: Department of Chemistry
Organisation: University of Newcastle
E-Mail: Bruce.Tattershall@ncl.ac.uk
Comments: Visualising electron density from Gaussian94 calculations on large molecules.
Computer System: Sun 4 ultrasparc or Pentium PC/Windows95


Name: Dennis J. Guss
Department:
Organisation: HomeSoft Software
E-Mail: djg.homesoft@t-online.de
Comments: I wanna use it for school
Computer System: Win 98


Name: Torsten Herbertz
Department: Chemistry
Organisation: Rutgers University
E-Mail: torsten@rutchem.rutgers.edu
Comments:
Computer System: PC Win98


Name: Olav Fossgaard
Department: Department of Chemistry
Organisation: University of Tromsoe
E-Mail: olav@chem.uit.no
Comments: Visualisation of Gaussian 94 outout Make plots
Computer System: Linux Redhat 5.1


Name: Alex MacKerell
Department: Pharmaceutical Sciences
Organisation: University of Maryland, School of Pharmacy
E-Mail: alex@mmiris.ab.umd.edu
Comments: Visualization of output from quantum chemical calculations primarily using the gaussian package
Computer System: SGI


Name: buergi thomas
Department: Chemistry
Organisation: ETH-Zurich
E-Mail: buerg@tech.chem.ethz.ch
Comments: view gaussian in/output
Computer System: silicon graphics indigo2


Name: Frank Glahe
Department: Inorganic Chemistry III
Organisation: University of Dortmund
E-Mail: uch480@pop.uni-dortmund.de
Comments: -visualisation of ADF-Output (hopefully more options in the near future) -viewing geometry-optimisation(xyz)-files -construct molecules(great!)
Computer System: AIX,Linux,WIN98/NT


Name: Sung-Hae Lee
Department: Chemistry
Organisation: Koear Advanced Institute of Science and Technology
E-Mail: ocean@daidun.kaist.ac.kr
Comments:
Computer System:


Name: Philippe A. Bopp
Department: Laboratoire de Chimie-Physique Moleculaire
Organisation: Universite Bordeaux I
E-Mail: pab@loriot.lsmc.u-bordeaux.fr
Comments: set up and analysis of ab-initio jobs set up of molecular geometries for Molecular Dynamics simulations
Computer System: IBM F50 332Mhz


Name: dhpan
Department: Department of Chemistry
Organisation: The University of Hong Kong
E-Mail: dhpan@hkusua.hku.hk
Comments: Ab initio caculation
Computer System:


Name: Galecka Katarzyna
Department: Chemistry
Organisation: WPI
E-Mail: kgalecka@wpi.edu
Comments: see results from MOPAC calculations
Computer System: Win 95


Name: shruti
Department: chemistry
Organisation: iit kanpur
E-Mail: shruti@iitk.ernet.in
Comments: academic purpose
Computer System: sgi indigo 2


Name: Tommi Matila
Department: Department of Physical Sciences
Organisation: University of Oulu
E-Mail: tommi.matila@oulu.fi
Comments: A simple structure illustrator used with Gaussian 94/98.
Computer System: SGI, Sun (Sparc), DEC-Alpha


Name: George P. Ford
Department: Chemistry
Organisation: Southern Methodist University
E-Mail: gford@smu.edu
Comments: Electron density plots from gaussian, and for general Z-matrix editing and other file format conversions.
Computer System: SGI


Name: Nils Bokermann
Department: Chemistry
Organisation: University of Bielefeld
E-Mail: bokerman@hrz.uni-bielefeld.de
Comments: Construction of z-matrices for gamess.
Computer System: Linux


Name: Dr. Heinrich Selzle
Department: Phys. Chemie
Organisation: TU Muenchen
E-Mail: heinrich.selzle@ch.tum.de
Comments: visulization of GAUSSIAN outputs
Computer System: irix


Name: Gareth Chelvanayagam
Department: Genetics
Organisation: ANU
E-Mail: Gareth.Chelva@anu.edu.au
Comments: chemical visualisation gaussian output
Computer System: solaris


Name: Eduardo Medina de la Rosa
Department: Química Inorgánica
Organisation: Universidad de La Laguna
E-Mail: emedina@ull.es
Comments: I expect to draw structures from GAMESS US output, and to represent density maps.
Computer System: Windows 98


Name: MORIKI KAZUNORI
Department: ELECTORIC AND ELECTORNICS
Organisation: MUSASHI INSTITUTE TECHNOLOGY
E-Mail: moriki@elm.ee.musashi-tech.ac.jp
Comments:
Computer System:


Name: Fabio Cesar Gozzo
Department: Institute of Chemistry
Organisation: State University of Campinas
E-Mail: fabio@iqm.unicamp.br
Comments: I use Molden as an interface for pre and post Gaussian calculations. Also used for preparing high quality pictures for publication.
Computer System: FreeBSD


Name: Glyn Cooper
Department: Chemistry
Organisation: Univ. British Columbia
E-Mail: cooper@chem.ubc.ca
Comments: Research using electron momentum spectroscopy.
Computer System: Windows95


Name: Michael Thompson
Department: Molecular Biology
Organisation: The Scripps Research Institute
E-Mail: miket@scripps.edu
Comments: viewing structures and movies of structures from data i am getting from density functional geometry optimization of my molecule.
Computer System: Unix/Linux


Name: Hazel Cox
Department: School of Chemistry, physics and environ. science
Organisation: University of Sussex
E-Mail: h.cox@sussex.ac.uk
Comments: I'll be using it to generate and explore optimized structures for/from ADF in z-matrix format
Computer System: SG indigo 2 R10000


Name: Jesus S. Cruz
Department: Unida SARA
Organisation: Universidad Veracruzana
E-Mail: scruz@bugs.invest.uv.mx
Comments: visualization of G94 output
Computer System: windows NT


Name: Haapaniemi Esa
Department: NMR laboratory
Organisation: VERIFIN/University of Helsinki
E-Mail: eha@cwnmrind.helsinki.fi
Comments: I just searched for Gamess to work with that, and from it's homapeage found info on available visual tools. Lets see if I can use them... Thank you !
Computer System: Windows-NT 4sp3


Name: RNDr.Jan Šimbera
Department: org.chemistry
Organisation: University VUT-Brno
E-Mail: Šimberová@fbm.vutbr.cz
Comments: I am interasting for organic chemistry synthesis in simulation on computers and all about
Computer System:


Name: Hong-Shun Ju
Department: Chemistry
Organisation: National Taiwan Normal University
E-Mail: oboe@tsailun.chem.ntnu.edu.tw
Comments: I
Computer System: FreeBSD, Win95


Name: Dr. Pinchas Aped
Department: Department of Chemistry
Organisation: Bar-Ilan University
E-Mail: aped@mail.biu.ac.il
Comments: Analyzing results from Gaussian (94E2, and soon 98), and Gamess (US and UK) results, for small and medium size systems.
Computer System: IBM-RS/6000 (AIX)


Name: Phil Biggin
Department: Structural Biology
Organisation: The Salk Institute
E-Mail: phil@perutz.salk.edu
Comments: Visualization of GAMESS output.
Computer System: SGI/Linux


Name: ventura
Department: ladir
Organisation: cnrs
E-Mail: ventura@glvt-cnrs.fr
Comments: visualize molecular vibrations issued from Gaussian
Computer System: SiliconGraphics Indy


Name: Osamu Takahashi
Department: Chemistry
Organisation: Hiroshima University
E-Mail: shu@chem.sci.hiroshima-u.ac.jp
Comments: 1.display the MOs and electron density from GAMESS and Gaussian output file.
Computer System: Linux


Name: Claudio Redaelli
Department: Scienze
Organisation: University of Insubria
E-Mail: clod@fis.unico.it
Comments:
Computer System: Linux, AIX, Sun-Solaris


Name: Haw Yang
Department: Chemistry
Organisation: UC Berkeley
E-Mail: hyang@uclink4.berkeley.edu
Comments: Plot MO and geometry of GAMESS output
Computer System: PC-Linux


Name: Dayle Smith
Department: Chemistry
Organisation: University of Arizona
E-Mail: smithd@u.arizona.edu
Comments: We will use Molden to plot HOMO's of dipole-bound anions. We may use it to visualize molecular vibrations also.
Computer System: UNIX


Name: Robert Bohn
Department: High Performance Systems & Services
Organisation: NIST
E-Mail: rbohn@nist.gov
Comments: To visualize GAUSSIAN and GAMESS output
Computer System: sgi, linux


Name: Doz. Dr. H. Bögel
Department: Inst. Physical Chemistry
Organisation: University of Halle
E-Mail: boegel@chemie.uni-halle.de
Comments: Visualization of MOPAC, G94 and ADF results. Creating VRML for Computer-Based-Learning
Computer System: W95 (later SGI)


Name: Antonio Morreale
Department: Quimica Organica
Organisation: Universidad de Alcala de Henares
E-Mail: antonio.morreale@uni.alcala.es
Comments: Visualization of gaussian and mopac output
Computer System: SGI R10000 O2 IRIX 6.3


Name: Yoshihisa Kawaguchi
Department: Material Science
Organisation: Electrotechnical Laboratory
E-Mail: elg01@etl.go.jp
Comments: electron density map
Computer System:


Name: Jack Simons
Department: Chemistry
Organisation: University of Utah
E-Mail: simons@chemistry.utah.edu
Comments: To prepare nice figures for publication
Computer System: IBM-RS6000 (Macintosh?)


Name: Eric I Arnoth
Department: Chemistry & Biochemistry
Organisation: University of Delaware
E-Mail: earnoth@udel.edu
Comments: To view Gaussian output in Computational Chemistry PhD work. Also to prepare animations and images
Computer System: Win95


Name: Osthoff, Hans
Department: Chemistry
Organisation:
E-Mail: hosthoff@ualberta.ca
Comments: Graduate Course in Computational Quantum Chemistry
Computer System: Windows 95


Name: A. Jongejan
Department: Enzymology
Organisation: TU Delft
E-Mail: aldo@dutsh15.tudelft.nl
Comments: Display of GAMESS output
Computer System: SGI Indigo & O2


Name: Richard P. Muller
Department: Chemistry
Organisation: Caltech
E-Mail: rpm@wag.caltech.edu
Comments: Viewing electronic wave functions. Perhaps writing converters to other electronic structure programs.
Computer System: SGI IRIX


Name: Thomas Henkel
Department: Mikrosysteme
Organisation: Institut für Physikalische Hochtechnologie e.V.
E-Mail: henkel@ipht-jena.de
Comments: -GUI for visualization of peptides and -generation/modification/transformation of input files for tinker, visualization of results
Computer System: i386, Linux, Debian HAMM


Name: Alessandro Venturini
Department: ICoCEA
Organisation: CNR - Area Della Ricerca di Bologna
E-Mail: ale@icow04.icocea.bo.cnr.it
Comments: Gaussian and Tinker user
Computer System: Dec/Alpha-500 and IBM/RS6000


Name: Michael A. Odeneye
Department: Chemistry
Organisation: Sussex University, Brighton, England
E-Mail: kaph8@central.sussex.ac.uk
Comments: Graphical display
Computer System: Unix


Name: Phillip Matz
Department: Materials Science
Organisation: Washington State University
E-Mail: matz@wsunix.wsu.edu
Comments: Molecular Orbital Viewing
Computer System: x86/WinNT


Name: Dimas Suarez Rodriguez
Department: Physical Chemistry
Organisation: University of Oviedo
E-Mail: dsr@dwarf1.quimica.uniovi.es
Comments: Visualizing and/or animating Gaussian Output Files
Computer System: IBM RS6000


Name: Andrew Komornicki
Department:
Organisation: Polyatomics Research Inst.
E-Mail: komornic@crl.com
Comments: Would like to explore use of Molden to build molecules and to visualize output from quantum chemical computations.
Computer System: DEC alpha osf/1


Name: Gerald Stangl
Department: Didaktik der Chemie
Organisation: Universität Bayreuth
E-Mail: Gerald.Stangl@uni-bayreuth.de
Comments: Visualisation of Chemical Structures for use in education in the case of university and school.
Computer System: WIN NT 4.0


Name: M.F.Bobrov
Department: Quantum Chemistry
Organisation: MUCTR
E-Mail: mikel@muctr.edu.ru
Comments: Education only! Not for Russian Academy of Sciense! For our ordinary students.
Computer System: IBM PC PENTIUM (Intell) 200


Name: Conrad Newton
Department: Theoretical Chemistry
Organisation: Lund University
E-Mail: newton@signe.teokem.lu.se
Comments: to look at Gaussian output files
Computer System: silicon graphics


Name: Jose Nazario
Department: Dept of Biochemistry
Organisation: Case Western Reserve University
E-Mail: jose@biocserver.cwur.edu
Comments: evaluation of ADF, MOPAC calculations, setup of ADF and MOPAC calcs.
Computer System: IRIX6, Linux/Intel and PPC


Name: SERGIO DANIEL DALOSTO
Department: PHYSICS
Organisation: INTEC-CONICET- UNL
E-Mail: SDALOSTO@INTEC.UNL.EDU.AR
Comments: I need to see gaussian output; orbitals, potentials,etc
Computer System: WINDOWS


Name: Drew Parsons
Department: Laboratoire de Chimie Theorique
Organisation: Universite Henri Poincare
E-Mail: Drew.Parsons@lctn.u-nancy.fr
Comments: Visualising molecular structures and associated properties (normal vibrations) Possibly to help in creating new geometries
Computer System: Win95/Win98


Name: Javier Hernandez
Department: Departamento de Quimica. facultad de Ciencias. La Universidad del Zulia
Organisation: Laboratorio de Quimica Inorganica Teorica
E-Mail: javier@sinamaica.ciens.luz.ve
Comments: We work in a research project to charaterize zeolites catalyst, and others, using Bader´s Theory. So, we need the program to represent the laplacian of the charge density
Computer System: Silicon Graphics Inc.


Name: K. Babu
Department: Department of Chemistry
Organisation: University of Pune
E-Mail: babu_k@iname.com
Comments: I'm a researcher in Computaional Quantum Chemistry and have been using Molden for about 8 months. I'm using it for visualisation of Gaussian 94 inputs/outputs
Computer System: HP-UX, SGI


Name: Larquey Céline
Department: gironde:33500
Organisation: ste AIMCO
E-Mail: clarquey@aimco.fr
Comments:
Computer System:


Name: Kevin Kubarych
Department: Chemistry
Organisation: University of Toronto
E-Mail: kjk@lphys.chem.utoronto.ca
Comments: hopefully to create input coordinates for mopac.
Computer System: linuxppc


Name: Ariana Beste
Department: Chemistry
Organisation: Philipps-Universitaet Marburg
E-Mail: beste@mathematik.uni-marburg.de
Comments: * following optimizations done by gaussian98 * displaying vibrations
Computer System: linux


Name: I J Turchi
Department: Computer Assisted Drug Design
Organisation: R W Johnson PRI
E-Mail: iturchi@prius.jnj.com
Comments: Visualization of Gaussian property calculations
Computer System: WinNT


Name: Qinghao Chen
Department: Chemistry
Organisation: MIT
E-Mail: hao@mit.edu
Comments: Visualization
Computer System: Linux (libc 5), Solaris 2.6, Irix 6.2


Name: Justin Finnerty
Department: Department of Chemistry
Organisation: University of Queensland
E-Mail: j.finnerty@chemistry.uq.edu.au
Comments: My group uses Gaussian 94 to calculate geometry and infrared spectra. I find the z-mat editor and the force visualization invaluable tools in my work. I have recently started to use the electron density and orbital projections to visualize zwitterionic intermediates/transition states. I think that molden is a great program, thankyou.
Computer System: aix, osf and linux


Name: Aplincourt Philippe
Department: UMR CNRS-UHP No 7565
Organisation: Laboratoire de chimie theorique
E-Mail: Philippe.Aplincourt@lctn.u-nancy.fr
Comments: I have to study reaction path at the CASSCF level. Thanks to the MOLDEN software, i can verify that my active space is the same along the path. MOLDEN is a very useful tool for studies perform at the MCSCF levels.
Computer System:


Name: VERGOTEN Gerard
Department: Chemistry
Organisation: University Sciences and Technologies
E-Mail: vergoten@chouia.univ-lille1.fr
Comments: interface with gaussian
Computer System: SGI Octane R10000


Name: Dr. Elke Hunstock
Department: Instituto de Tecnologia Quimica e Biologica
Organisation: Quimica Teorica
E-Mail: elke@itqb.unl.pt
Comments: Gaussian98 visualisation
Computer System: Unix, Linux


Name: Bela Paizs
Department: Department of Biophysics
Organisation: German Cancer Research Center
E-Mail: B.Paizs@DKFZ-Heidelberg.de
Comments: Gaussian output visualisation
Computer System: IBM RS6000


Name: Yasuhiro Yamada
Department: Chemistry
Organisation: The Science University of Tokyo
E-Mail: yasu"ch.kagu.sut.ac.jp
Comments: I have just obtained the copy of Molden. I am going to use Molden to visuarize output of Gaussian.
Computer System: Linux


Name: Bui Tho Thanh
Department: Chemistry
Organisation: Vietnam National University - Ho Chi Minh city
E-Mail: btthanh@hcmu.edu.vn
Comments: Plot the molecular orbitals,
Computer System: Pentium II, 266 MHz, 64 MB RAM,


Name: Damian Moran
Department: Department of Chemistry
Organisation: University of Georgia
E-Mail: dmoran@chem.uga.edu
Comments: gaussian front end
Computer System: AIX, Linux, SGI, SunOS,


Name: Markus Meuwly
Department: Chem. Department
Organisation:
E-Mail: Markus.Meuwly@durham.ac.uk
Comments: Displaying molecular structures
Computer System: SGI


Name: Olga
Department: Physics, University of Patras , GREECE
Organisation: Falagara
E-Mail: falagara@physics.upatras.gr
Comments: I am a PhD student doing theoretical research on small clusters, and so use Molden to visualize results from ab inito and semi-empirical calculations
Computer System: HP-UX , Windows 98


Name: A. G. Samuelson
Department: Inorganic and Physical Chemistry
Organisation: Indian Institute of Science
E-Mail: ashoka@ipc.iisc.ernet.in
Comments: for visualising results from abinitio and for teaching mo theory to incoming grad students.
Computer System: sgi


Name: Luminita C Jitariu
Department: Chemistry
Organisation: University of Warwick
E-Mail: mssbu@snow.csv.warwick.ac.uk
Comments: To visualize vibrational motion for various adducts and transition states as obtained in Gaussian 94
Computer System:


Name: Edgar W. Ignacio
Department: Chemistry
Organisation: MSU-Iligan Institute of Technology
E-Mail: eignacio@msuiit.msuiit.edu.ph
Comments: Structures and MO presentations. This is a very usefull software, thank you.
Computer System: DEC Alpha


Name: Leonid Gorb
Department: Chemistry
Organisation: Jackson State University
E-Mail: leonid@tiger.jsums.edu
Comments: Gaussian visualization
Computer System: Pentium


Name: Alexey I. Baranov
Department: Department of Chemistry, Inorganic Chemistry Division
Organisation: Soft Inorganic Synthesis Lab,. Moscow State University
E-Mail: alexib@inorg.chem.msu.ru
Comments: Visualizing GAMESS-US calculation results: reaction paths, geometry optimizations, vibrations, distribution of electronic density
Computer System: Intel Pentium under Linux


Name: Frank Oellien
Department: Computer Chemistry Center
Organisation: University of Erlangen-Nürnberg
E-Mail: franko@ccc.chemie.uni-erlangen.de
Comments:
Computer System: IRIX 6.3


Name: Ralf Wesendrup
Department: Physical Chemistry
Organisation: University of Auckland
E-Mail: ralf@chenov2.auckland.ac.nz
Comments: visualization of structures for geometry optimization
Computer System: sgi


Name: Juergen Haas
Department: chemistry
Organisation: University of basel
E-Mail: haajue00@stud.unibas.ch
Comments: experimental use in diploma thesis
Computer System: LINUX-2.0 (redhat(5.1))


Name: Artali Roberto
Department: Chimica Fisica Applicata - Facoltà di FARMACIA
Organisation: Univ. PARMA
E-Mail: r.artali@pcchimfis1.farm.unipr.it
Comments: GUI for manipulation of tinker files
Computer System: Linux i386


Name: Istvan Komaromi
Department: Clinical Biochemistry and Molecular Pathology
Organisation: University Medical School of Debrecen
E-Mail: komaromi@jaguar.dote.hu
Comments: Visualisation of gaussian calculations on peptides and proteins
Computer System: SGI


Name: Ole Meyer
Department: chemistry
Organisation: University
E-Mail: OMeyer@aol.com
Comments:
Computer System:


Name: Ramon van Handel
Department: Chemistry Department
Organisation: Vrije Universiteit, Amsterdam, the Netherlands
E-Mail: vhandel@chem.vu.nl
Comments: Currently, it's only playing (I'm a second-year chemistry student, and I'm having lots of fun modelling molecules and reactions using mopac and molden on my linux box at home.) I have also used mopac/molden for a lab report (theoretical background for the luminol/H2O2/Fe3+ reaction.) Perhaps in the future I'll be doing research with it, but it's a bit early to tell ;)
Computer System: Currently linux, in the future possibly SGI Indy


Name: M.G. Malott
Department: Dept. of Chemistry
Organisation: McMaster University
E-Mail: malott@mcmaster.ca
Comments: viewing output from g94, g98 complementary to Spartan and Cerius
Computer System: SGI, PC (w95, wNT)


Name: lavandera jose luis
Department: chemistry
Organisation: uned
E-Mail: jllmvf98@mx3.redestb.es
Comments: molecular modelling capabilities as well as compuattional chemistry visualization results
Computer System: windows 95


Name: Kristen Murphy
Department: Chemistry
Organisation: University WI Milwaukee
E-Mail: kmurphy@csd.uwm.edu
Comments: Viewing output files from Gaussian 92
Computer System:


Name: sophia yaliraki
Department: chemistry
Organisation: northwestern university
E-Mail: yaliraki@chem.nwu.edu
Comments: visualization of gaussian output
Computer System:


Name: MONARD Gerald
Department: Department of Chemistry
Organisation: Pennsylvania State University
E-Mail: gmonard@proffer.chem.psu.edu
Comments: Analysis of gaussian and mopac outputs (geometry, normal modes, ...)
Computer System: IBM RS6000


Name: atsuo ono
Department:
Organisation:
E-Mail: aono-tym@umin.ac.jp
Comments:
Computer System: linux


Name: Alexander Kyrychenko
Department: IX
Organisation: Institute of Physical Chemistry
E-Mail: kyrychen@ichf.edu.pl
Comments: Visualization of Gaussian '98 output
Computer System: Digital UNIX, DEC Alpha


Name: Adriana Cecilia Olleta
Department: Facultad de Ciencias Quimicas Departamento de Fisicoquimica
Organisation: Universidad Nacional de Cordoba
E-Mail: aolleta@fisquim.fcq.unc.edu.ar
Comments: visualizar moleculas de output correspondientes al Programa Gaussian 94.
Computer System: -


Name: Prakashan Korambath
Department: VSSE
Organisation: Air Force Research Laboratory
E-Mail: ppk@arc.unm.edu
Comments: I am an NRC postdoctoral fellow. I will be using it to aid my research on III-V binary semiconductors
Computer System: Solaris


Name: Alexander Starukhin
Department: IX
Organisation: Institute of Physical Chemistry
E-Mail: star@ichf.edu.pl
Comments: Using Molden with Gaussian98 outputs
Computer System: Windows95


Name: Daniel Tunega
Department: Theoretical Chemistry
Organisation: Institute of Inorganic Chemistry , Slovak Academy of Sciences
E-Mail: uachtuno@savba.sk
Comments: Visualisation of g94 and gammes results
Computer System: Linux, HP-UX


Name: Prof. Luis A. Montero
Department: Facultad de Química
Organisation: Universidad de La Habana
E-Mail: lmc@karin.fmq.uh.edu.cu
Comments: Display molecular graphics to illustrate students in pre and postgraduate level about uses of computational chemistry. I will also use it for some research result publication.
Computer System: Linux


Name: Stefan Fau
Department: Fachbereich Chemie
Organisation: Philipps-Universität Marburg
E-Mail: fau@mailer.uni-marburg.de
Comments: graphic creation/modification/user-def. fragment addition to larger z-matrices; visualization of MOs; wish: stronger orientation commands (like schakal, consecutive define plane + rotate axis degrees)
Computer System: rs6000


Name: Emanuele Paci
Department:
Organisation: OCMS
E-Mail: paci@bioch.ox.ac.uk
Comments:
Computer System: linux


Name: DARGELOS
Department: Chemistry
Organisation: Université de PAU
E-Mail: Alain.Dargelos@univ-pau.fr
Comments: With GAUSSIAN
Computer System: HP(HPUX) /Win95


Name: matthias ernzerhof
Department: chemistry
Organisation: rice university
E-Mail: matthias@ymate.rice.edu
Comments: visualising the results of Gaussian calculations
Computer System: rs6000


Name: Holger Meissner
Department: Applied Mathematics
Organisation: University of Waterloo
E-Mail: holger@cauga.uwaterloo.ca
Comments: representation of GAMESS output
Computer System: IBM/RS6000


Name: Krzysztof Ginalski
Department: Interdisciplinary Centre for Mathematical and ComputationalModelling
Organisation: Warsaw University
E-Mail: kginal@icm.edu.pl
Comments:
Computer System: sgi


Name: omar munoz-muniz
Department: Chemistry
Organisation: CINVESTAV-IPN
E-Mail: odamu@relaq.mx
Comments:
Computer System: LINUX


Name: Peter Cronstrand
Department: IMa
Organisation: Mälarddalens University
E-Mail: pcd&mdh.se
Comments: Visualization of molecules for geometry preoptmization of polymers
Computer System: Windows NT


Name: Nandini
Department: Inorganic and Physical Chemistry
Organisation: Indian Institute of Science
E-Mail: nandini@ipc.iisc.ernet.in
Comments: I am using molden to view the optimized geometry obtained by abinitio methods
Computer System:


Name: Daniel Barsky
Department: Biology and Biotechnology Research
Organisation: Lawrence Livermore National Lab
E-Mail: barsky@llnl.gov
Comments: Mostly look at Gaussian output files. It would be handy if it could read Gaussian input files as well. Thanks!
Computer System: SGI, linux PC


Name: Shigeru Ikuta
Department: Computer Center
Organisation: Tokyo Metropolitan University
E-Mail: ikuta@comp.metro-u.ac.jp
Comments: I want to draw the results by Gaussian98 and MOLPRO using your MOLDEN.
Computer System: Digital Unix4.0d


Name: Tsuneo Hirano
Department: Chemistry
Organisation: Ochanomizu University
E-Mail: hirano@chem.ocha.ac.jp
Comments: Examination of orbitals and nomal modes in the MOLPRO and GAUSSIAN outputs as well as GAMESS outputs.
Computer System: AIX, IRIX, DOS/V(NT4.0 and Linux)


Name: N.M. Marinov
Department: Chemical Sciences Division
Organisation: LLNL
E-Mail:
Comments:
Computer System: DEC Alpha - Unix


Name: Jan M.L. Martin
Department: Department of Organic Chemistry
Organisation: Weizmann Institute of Science
E-Mail: comartin@wicc.weizmann.ac.il
Comments: Let me tell you if and when I manage to download it!
Computer System: DEC Alpha


Name: BWJ Ellenbroek
Department:
Organisation:
E-Mail: B.Ellenbroek@inter.nl.net
Comments: General interest, reaction path, stereomodels
Computer System:


Name: Shin Ick-Dong
Department: Physics
Organisation: Yeungnam University
E-Mail: a9523303@chunma.yeungnam.ac.kr
Comments:
Computer System: Win95


Name: Fabio Luiz Garbujo
Department: Chemistry Departament
Organisation: University Federal of Sao Carlos
E-Mail: garbujo@dq.ufscar.br
Comments: We'll use molden to create Z-matrix molecules and submit calculus to gaussian and gammes.
Computer System: Unix-FreeBSD and Unix-OSF1


Name: Devesh Raghubanshi
Department: Chemistry
Organisation: Indian Institute of technology
E-Mail: devcr@iitk.acin
Comments: I am studying water clusters so i need to see the structures generated by me using gaussian.
Computer System: SGI, unix


Name: Paul M. Lahti
Department: Chemistry
Organisation: Univ of Massachusetts
E-Mail: lahti@chem.umass.edu
Comments: Orbital analysis for CAS ab initio calcns
Computer System: SGI UNIX, Intel PC, PC


Name: Amresh M
Department: Chemical Sciences
Organisation: Indian Institute of Science
E-Mail: mamresh@mailcity.com,mamresh@iname.com
Comments: to get the electron density of the given molecule
Computer System: netscape


Name: Fernando Fabián Pedeconi
Department: Departamento de Química
Organisation: Universidad Nacional de Mar del Plata
E-Mail: fpedeconi@yahoo.com
Comments: Research in areas of molecular modeling, energy minimization, applied to inorganic chemistry
Computer System: Windows 95


Name: Daniele Spera
Department: Electronics Engineering
Organisation: La Sapienza University
E-Mail: daniele@bioem.ing.uniroma1.it
Comments: Analysis os static and dinamic properties of protoporphirin IX and simpler molecules
Computer System: Silicon Graphics


Name: Sabine Nagel
Department: Chemische Verfahrenstechnik
Organisation: TU-Hamburg Harburg
E-Mail: s.nagel@tu-harburg.de
Comments: Analyzing Gaussian Output
Computer System: Silicon Graphics


Name: Doron Goldberg
Department: Microbiology
Organisation: MIGAL Galilee Technological Center
E-Mail: goldberg@migal.co.il
Comments: A viewer for mopac93 output
Computer System: Linux RedHat


Name: German Gunther Sapunar
Department: Quimica Organica y Fisicoquimica
Organisation: Universidad de Chile
E-Mail: ggunther@ll.ciq.uchile.cl
Comments: We need a graphical interface for MOPAC output files
Computer System: Windows 95


Name: Juan Diego Bolanhos Ramirez
Department: fisica de particulas elementales
Organisation: Universidad del VAlle
E-Mail: diego@mangle.univalle.edu.co
Comments: calculos
Computer System: Ultra Sparc x2


Name: Jesus Hernandez
Department: Chemistry
Organisation: Mc Master University
E-Mail: hernand@mcmail.cis.mcmaster.ca
Comments: I am particularly interested in getting plots of molecular orbitals as a help to select the active space to perform Multireference CI calculations using GAMESS US. I am also interested in the visualization of the electron density and the laplacian of the electron density. Molden appears to be very appropriate to accomplish these goals. Thanks a lot.
Computer System: linux


Name: Koji Hasegawa
Department:
Organisation: RIKEN Photodynamics Research Center, Sendai
E-Mail: kojihase@postman.riken.go.jp
Comments:
Computer System:


Name: Carl Mark Windsor
Department: Computational and Theoretical Chemistry
Organisation: University of Manchester
E-Mail: carl.windsor@bigfoot.com
Comments: Visualisation of orbitals, geometry manipulation
Computer System: SGI IRIX, Linux


Name: Shixi Liu
Department: Center of Modern Biological Research
Organisation: Yunnan University
E-Mail: shixiliu@hotmail.com
Comments: I'll tell you later.
Computer System: Windows 95 OSR2


Name: Shixi Liu
Department: Center of Modern Biological Research
Organisation: Yunnan University
E-Mail: shixiliu@hotmail.com
Comments: I will tell you later.
Computer System: Windows 95 OSR2, IRIX 5.3, Redhat Linux 5.1


Name: Laboratorio de Visualizacion
Department: Visualizacion, DGSCA
Organisation: UNAM
E-Mail: ccdt@mira.labvis.unam.mx
Comments: In this laboratory we are working with programs that let us carry out chemical calculations and we need some programs for visualization of results
Computer System: SiliconGraphics


Name: Roger Moeri
Department: Chemistry
Organisation: Swiss Federal Institute of Technology
E-Mail: rmoeri@stud.chem.ethz.ch
Comments: gaussian frontend convert pdb to cartesian format for gromos96 use
Computer System:


Name: Julio A. Seijas
Department: Organic Chemistry
Organisation: University of Santiago de Compostela. Facultad de Ciencias
E-Mail: qoseijas@lugo.usc.es
Comments: visualizing results from GAMESS, Mopac, gaussian
Computer System: PC Pentium II


Name: brett eric lewis
Department: biochemistry
Organisation: albert einstein college of medicine
E-Mail: blewis@aecom.yu.edu
Comments: animate vibrational modes for learning/research purposes
Computer System: sgi


Name: Azamat
Department: Academy of science
Organisation: Edris
E-Mail: muh@kaznet.kz
Comments: OK
Computer System: Windows95


Name: Maximiliano Burgos
Department: Cordoba
Organisation: Universidad Nacional de Cordoba - Facultad de Cs. Quimicas
E-Mail: mburgos@fisquim.fcq.unc.edu.ar
Comments: visualizar calculos ab-initio hechos con el programa gaussian
Computer System: ????


Name: Stefan Portmann
Department: CSCS/SCSC-ETHZ
Organisation: ETHZ
E-Mail: portmann@scsc.ethz.ch
Comments:
Computer System: SGI, SUN


Name: Antonio Tilocca
Department: Dept. of Chemistry
Organisation: University of Sassari
E-Mail: osrisfol@ssmain.uniss.it
Comments: visualization of MOPAC and GAMESS output
Computer System: RS-6000 (AIX 4), HP-9000 (HP-UX 10.20)


Name: Lauro amargo Dias Junior
Department: Instituto de Quimica
Organisation: Universidade Estadual de Campinas
E-Mail: laurocd@iqm.unicamp.br
Comments: Use to visualize the electronic density of the dye Nile Red a benzophenoxazone. Calculations made with Gaussian 94 at the ab initio level
Computer System: Windows and Unix


Name: Hongyong,Tong
Department: Physics
Organisation: Tongji University of Shanghai
E-Mail: tjthy@baoscape.com
Comments:
Computer System: NT


Name: Tomasz Motylewski
Department: Institute of Physical Chemistry
Organisation: Uni Basel
E-Mail: motyl@stanc.chemie.unibas.ch
Comments: Input generator for Gaussian 98, output analyser
Computer System: Linux 2.0


Name: Dipl.-Math. A. Spahn
Department: Rechenzentrum
Organisation: Universität Würzburg
E-Mail: spahn@rz.uni-wuerzburg.de
Comments: Das Rechenzentrum der Universität Würzburg wurde vom Fachbereich Chemie gebeten, Molden auf seinen Rechnern zur Verfügung zu stellen.
Computer System: Digital Unix


Name: Thomas Holm Rod
Department: Dep. of Physics
Organisation: Center for atomic-scale Materials Physics
E-Mail: trod@fysik.dtu.dk
Comments: Primarily to show molecularly structures, but also to see densities and electrostatic potentials for DFT calculated structures.
Computer System: linux


Name: Saturnino Calvo Losada
Department: Química Física
Organisation: Universidad de Málaga
E-Mail: saturn@uma.es
Comments: Visualization of Molecular orbitals and electronic density from Gaussian 94 and Gamess U. S. A.
Computer System: Unix


Name: Vojtech KAPSA
Department: Chemical Physics and Optics
Organisation: Faculty Mathematics and Physics - Charles University
E-Mail: kapsa@quantum.akrlov.mff.cuni.cz
Comments: analysis of the molecular geometry analysis of the Gaussian output analysis pdb files
Computer System: Linux (RedHat 5.0), Irix6.4


Name: Amit Agrawal
Department: Chemistry
Organisation: Indian Institute Of Technology, Kanpur, India
E-Mail: amita@iitk.ac.in, agrawal_amit@mailcity.com
Comments: I use molden to view the optimized geometries of various molecules and to analyse their characheris tics. I am currently working on water clusters and small peptide fragments in particular.
Computer System: Unix


Name: Paul Winget
Department: Chemistry
Organisation: University of Minnesota
E-Mail: winget@pollux.chem.umn.edu
Comments: Visualization of Electronic Structure Calculations
Computer System: SGI / IRIX 6.2


Name: JAIR J. MENEGON
Department: FUNDAMENTAL CHEMISTRY
Organisation: INSTITUTO DE QUIMICA -UNIVERSIDADE DE SAO PAULO
E-Mail: MENEGON@IQ.USP.BR
Comments: I PLAN TO VISUALISE GAUSSIAN CALCULATIONS AND THE MOLDEN IS VERY GOOD PROGRAM FOR.
Computer System: PC PENTIUM II


Name: ning xie
Department: Chemical Engineering
Organisation: Massachusetts Institute of Technology
E-Mail: ningxie@mit.edu
Comments: construct z-matrix for Gaussian input and view gaussian output
Computer System: SGI origin200


Name: Dr. Stuart Thomson
Department: Physical Chemistry
Organisation: University of New South Wales
E-Mail: stuart.thomson@unsw.edu.au
Comments: Visualisation of Gamess output for vibrational analysis
Computer System: Linux and 95


Name: gruia mircea
Department: lab. of kinetics
Organisation: institute of physical-chemistry
E-Mail: mgruia@chimfiz icf.ro
Comments: for visualisation of mopac results.
Computer System: ibm


Name: Steven L. Guberman
Department:
Organisation: Institute for Scientific Research
E-Mail: slg@sci.org
Comments: With Molpro
Computer System: Dec Alpha


Name: Keiji Sugino
Department:
Organisation:
E-Mail: k-sugino@mx.biwa.ne.jp
Comments:
Computer System: Linux, Windows95


Name: David Borst
Department: Chemistry
Organisation: University of Pittsburgh
E-Mail: dborst@pitt.edu
Comments: View output from Gaussian outputs Hopefully view inertial axis (someday) for molecular systems
Computer System: SGI-indigo/DEC Alpha


Name: Yi-Ping Liu
Department: Chemistry
Organisation: Western Michigan University
E-Mail: yi-ping.liu@wmich.edu
Comments:
Computer System: IBM RS6000, SGI Octane, Mac


Name: Angeles Silva
Department: Organic Chemistry
Organisation: University of Extremadura
E-Mail: masilva@unex.es
Comments:
Computer System:


Name: Durwin R. Striplin
Department: Chemistry
Organisation: Davidson College
E-Mail: dustriplin@davidson.edu
Comments: interface for gaussian
Computer System: win95/98/nt


Name: T Dyer
Department: Civil Engineering
Organisation: University of Dundee
E-Mail: t.d.dyer@dundee.ac.uk
Comments: I am hoping to be able to use Molden in combination with Gamess to model the interaction of water soluble polymers with water and, ultimately, with the reaction products of cements
Computer System: PC running NT


Name: Dr. Daniel Bacelo
Department: Sciences and Technology
Organisation: Universidad Metropolitana
E-Mail: daniel@pauli.uprr.pr
Comments:
Computer System: linux


Name: Professor Howard D. Stidham
Department: Chemistry Department
Organisation: University of Massachusetts
E-Mail: stid@blackhawk.chem.umass.edu
Comments: View optimized geometry of conformers to check torsion angle definitions in GAUSSIAN 94/98 .log files. View normal coordinates for selected vibrations of conformers.
Computer System: IRIX 5.3 on Indigo2 with Extreme Graphics


Name: Jean-Christophe LAMBRY
Department: ENSTA LOA
Organisation: INSERM U451
E-Mail: lambry@enstay.ensta.fr
Comments: A nice visualisation of protein molecular structures
Computer System: HP735 (HPUX 10.10)


Name: Ben Horenstein
Department: Chemistry
Organisation: University of Florida
E-Mail: horen@chem.ufl.edu
Comments: Monitoring Jobs in progress
Computer System: PentiumII/Linux


Name: Bernard Gauthier-Manuel
Department: LPMO
Organisation: CNRS
E-Mail: gauthier@lpmo.univ-fcomte.fr
Comments: Visualisation of pdb files
Computer System: OS2 Warp4 with xfree86


Name: Michael Schultz
Department: Radioactivity Group
Organisation: NIST
E-Mail: USA
Comments: Visualizing Gaussian output
Computer System: Windows 95


Name: Mike Schultz
Department: Radioactivity Group
Organisation: NIST
E-Mail: michael.schultz@nist.gov
Comments: visualizing Gaussian .out files
Computer System: Windows 98


Name: Tapas Kar
Department: Dept. Chemistry
Organisation: Southern Illinois University
E-Mail: tapas@risky3.thchem.siu.edu
Comments: For MOs, density, density diff. plots
Computer System: RS/6000 AIX 4.2


Name: Jose Luis Bravo
Department: Organic Chemistry
Organisation: Universtiy of Extremadura
E-Mail: jlbravo@unex.es
Comments:
Computer System: UNIX


Name: Dr. Jürgen Kroner
Department: Inorganic Chemistry
Organisation: University of Munich
E-Mail: jkr@cup.uni-muenchen.de
Comments: Analyzing the results of Gaussian calculations
Computer System: Windows


Name: Yakov A. Levin
Department: Laboratory of organic synthesis
Organisation: A.E. Arbuzov Institute of Organic and PHysical Chemistry
E-Mail: lev@ioph.kcn.ru
Comments: I hope to use MOLDEN as a tool in visualization GAMESS outputs for organic and organophosphorous molecules and free radicals (structures, transition states, reaction pathes and so on). Sincerely Yours prof. Yakov A. Levin Russia, 420088, Kazan, Arbusov str., 8 Prof.
Computer System: PC; Windows 95


Name: Angel Martin Pendas
Department: Quimica Fisica y Analitica
Organisation: Universidad de Oviedo
E-Mail: angel@fluor.quimica.uniovi.es
Comments: Quick tool to visualize cluster geometries.
Computer System: linux


Name: André Rodrigue
Department: chimie
Organisation: Educational
E-Mail: rodrigueandre@videotron.ca
Comments:
Computer System: windows 98


Name: Peter Mitrasinovic
Department: Dept. of Chemistry
Organisation: the Florida State University
E-Mail: pmitrasi@chem.fsu.edu
Comments: For visualization of molecular structures related to my research in Quantum Chemistry. I am working on my Ph. D. dissertation now. Thank you.
Computer System: Win 98


Name: Hyun Joo
Department: Chemistry
Organisation: Hanyang Univ.
E-Mail: hyjoo@mccoy.hanyang.ac.kr
Comments: I'll use it with Gaussia '94 package in prof. Kwon's lab.
Computer System:


Name: Kiran Boggavarapu
Department: Computer Chemie Centrum
Organisation: University of Erlangen
E-Mail: kiran@ccc.uni.erlangen.de
Comments: for Gaussian visuvalization
Computer System: Alpha


Name: Ljubisa Radovic
Department: Energy and Geo-Environmental Engineering
Organisation: Penn State University
E-Mail: LRR3@psu.edu
Comments: With Gaussian98
Computer System: Windows95


Name: C. Matta
Department: Chemistry
Organisation: McMater Univ.
E-Mail: mattacf@mcmail.cis.mcmaster.ca
Comments: Plotting releif maps of electron density from wfn file of Gaussian, Visualizing Gaussian outputs, Changing the specification of the z-matrix.
Computer System: Windows95 and Linux5.1


Name: zhu weiliang
Department: chemical process & biotechnology
Organisation: singapore polytechnic
E-Mail: s33303@sp.edu.sg
Comments:
Computer System: windows


Name: Liming Wang
Department: Department of Chemistry
Organisation: University of California
E-Mail: wanglm70@hotmail.com
Comments:
Computer System: Windows Nt 4.0 SP3


Name: Michael Farrow
Department: Oral Biology
Organisation: the Ohio State University
E-Mail: farrow.1@osu.edu
Comments: Visualization of chemokine/receptor interaction. Investigation of possible molecular docking models
Computer System: Linux (ALPHA & Intel platforms)


Name: orlopp
Department: uni-muenchen
Organisation: Genzentrum
E-Mail: orlopp@lmb.uni-muenchen.de
Comments:
Computer System: Linux


Name: Sophia Khuznetsova
Department: Physics
Organisation: Lomonosov Moscow State University
E-Mail: sonya@bio471b.phys.msu.su
Comments: MOPAC results visualisation
Computer System:


Name: Masahiro Tsuchiya
Department: Department of Chemistry
Organisation: National Defense Academy
E-Mail: masahiro@cc.nda.ac.jp
Comments: Prepare and handle molecules with MOPAC7.
Computer System: linux


Name: pedro
Department: chemistry
Organisation: particular
E-Mail: p.rocha@mail.telepac.pt
Comments:
Computer System:


Name: George Papamokos
Department: Chemistry Dept.
Organisation: University of ioannina
E-Mail: me00109@cc.uoi.gr
Comments: I would like to use molden to animate vibrations from gamess output
Computer System:


Name: Andreas Heitmann
Department: Theoretical Physics
Organisation: University of Kassel
E-Mail: aheit@physik.uni-kassel.de
Comments: i'm going to check if molden can be used together with our relativistic molecular structure program. i'm also interested in the algorithms used for molecular density plots.
Computer System: AIX, Linux


Name: Aleksander Herman
Department: Chemistry
Organisation: Technical University of Gdansk
E-Mail: holo@altis.chem.pg.gda.pl
Comments: Visualization of Gamess and Thinker results.
Computer System: PC


Name: La Magna Antonino
Department: IMETEM
Organisation: CNR
E-Mail: lam@imetem.ct.cnr.it
Comments: 3d visualization of crystal structure with points or extended defects embedded
Computer System: IBM RISC6000


Name: Krzysztof Mierzwicki
Department: Faculty of Chemistry
Organisation: University of Wroc³aw
E-Mail: krzysiek@wchuwr.chem.uni.wroc.pl
Comments:
Computer System: PC


Name: Rohana Adnan
Department: Dept. of Chemistry
Organisation: University of Southampton
E-Mail: rba@soton.ac.uk
Comments:
Computer System: SGI-O2 and PentiumII (Window95)


Name: Svetlana Keshtova
Department: Chemistry
Organisation: Moscow State University
E-Mail: kesch@org.chem.msu.su.
Comments:
Computer System:


Name: David F. Hakala
Department: Product Development
Organisation: THOMSON multimedia
E-Mail: hakalad@ameritech.net
Comments:
Computer System: Windows 95/x86 Pentium Pro


Name: Son, Won-joon
Department: Chemistry
Organisation: Seoul National University
E-Mail: sondon@statchem.snu.ac.kr
Comments:
Computer System: SGI


Name: Vladimir Tikhonenko
Department: Chemical
Organisation: Omsk State University
E-Mail: tihonen@univer.omsk.su
Comments: I'm gonna view GAMESS results with it.
Computer System: Pentium based machine, OS/2


Name: pintacuda guido
Department: chemistry
Organisation: scuola normale superiore
E-Mail: pintacud@cibs.sns.it
Comments:
Computer System:


Name: Jaime Oviedo Lopez
Department: Physics and Astronomy Department
Organisation: University College London
E-Mail: jol@cica.es
Comments: I will use it to visualize some crystalines structures.
Computer System: Digital Alpha 500


Name: Thomas Baker
Department: Chemistry
Organisation: MIT
E-Mail: tbaker@mit.edu
Comments: To visual molecular orbitals obtained from ADF or other DFT methods.
Computer System: Linux/Unix(SGI)/Win98


Name: Andrzej T.Kowal
Department: Chemistry
Organisation: Wroclaw University of Technology
E-Mail: atk@ichn.ch.pwr.wroc.pl
Comments: Preparation of GAMESS and Gaussian input data files in z-mat format, visualization of molecular geometry w/ high quality printer output.
Computer System: Linux RedHat 5.1


Name: Hidekazu SHIMOTANI
Department: Superconductivity
Organisation: University of Tokyo
E-Mail: tt86890@hongo.ecc.u-tokyo.ac.jp
Comments:
Computer System: linux


Name: Stefan Haep
Department: Institut fuer Anorganische Chemie / AK Niecke
Organisation: Universitaet Bonn
E-Mail: stefan.haep@uni-bonn.de
Comments: Visualize the results of Gaussian
Computer System: PC Win98


Name: Tim Jödicke
Department: Organic Chemistry
Organisation: WWU Muenster
E-Mail: jodickt@uni-muenster.de
Comments: Visualisation of MO calculated by Gaussian
Computer System: Linux


Name: Paul
Department: Laboratoire de catalyse homogene et heterogene
Organisation: Universite de sciences et technologies de Lille
E-Mail:
Comments: visualise g94/g98, adf output
Computer System: Dec, linux, Sgi ...


Name: Fabricio Ronil Sensato
Department: Departamento de Química
Organisation: Universidade Federal de São Carlos
E-Mail: fabricio@dq.ufscar.br
Comments:
Computer System: window98 ; SGI


Name: Pattabiraman Kalyanaraman
Department: Organic Chemistry
Organisation: Indian Institute of Science
E-Mail: pkr@orgchem.iisc.ernet.in
Comments: MO diagrams
Computer System: unix, windows95


Name: Ula Alexander
Department: Chemistry
Organisation: Flinders University of south Australia
E-Mail: Ula.Alexander@flinders.edu.au
Comments: Use the Z-matrix editor to construct molecular models for Gaussian94 input.
Computer System: unix


Name: Johannes Weber
Department: Institut fuer Physikalische Chemie
Organisation: Universitaet zu Koeln
E-Mail: Johannes.Weber@uni-koeln.de
Comments: Visualisation of Gamess and Gaussian outputs
Computer System: IBM PC


Name: Maria Alfredsson
Department: Inorganic Chemistry
Organisation: Uppsala University
E-Mail: mariaa@kemi.uu.se
Comments: View Gaussian outputs. Main reserch interest is surfaces of metal oxides and H-bonded systems.
Computer System: Dec 3000


Name: Dr. Alexander Kai-man Leung
Department: Department of Applied Biology & Chemical Technology
Organisation: The Hong Kong Polytechnic University
E-Mail: kmleung@fg702-6.abct.polyu.edu.hk
Comments:
Computer System: SGI


Name: Ruedi Rytz
Department: Department of Chemistry and Biochemistry
Organisation: University of Berne
E-Mail: rytz@solar.iac.unibe.ch
Comments: Visualization of GAMESS output
Computer System: Linux


Name: Happersberger Peter
Department: University of Konstanz
Organisation: Faculty of Chemistry, Prof. Dr. M. Przybylski
E-Mail: Peter.Happersberger@uni-konstanz.de
Comments: Visualization of TINKER molecular dynamic reaction paths (I hope MOLDEN can do this)
Computer System: Linux, Win95


Name: Tarroni Riccardo
Department: Dipartimento di Chimica Fisica ed Inorganica
Organisation: University of Bologna
E-Mail: tarroni@ms.fci.unibo.it
Comments: Visualizing tool for quantum chemistry calculations
Computer System: IBM RS6000


Name: Andrzej Nowek
Department: Chemistry
Organisation: Jackson State University
E-Mail: andrzej@tiger.jsums.edu
Comments:
Computer System: SGI Irix 5.3, 6.5


Name: Stefan Konietzny
Department: Chemistry, Inorg. Section
Organisation: University of Kaiserslautern, GER.
E-Mail: konietz@chemie.uni-kl.de
Comments: A fast check of the optimization state of a molecule. Visualisation of normal modes.
Computer System: SGI, RS6000, PII Linux+Windows98


Name: Rohmer Marie-Madeleine
Department: UMR 7551 CNRS - Universite Louis Pasteur
Organisation: Quantum Chemistry Lab
E-Mail: rohmer@quantix.u-strasbg.fr
Comments: Visualize ADF output
Computer System: IBM RS6000 DEC Alpha 4000


Name: Carl Lund
Department: Chemical Engineering
Organisation: State University of New York at Buffalo
E-Mail: lund@eng.buffalo.edu
Comments: visualize output from gaussian & gamess
Computer System: linux, win32


Name: Robert Gricia
Department: Physics
Organisation: Nottingham Trent University
E-Mail: BD701260@ntu.ac.uk
Comments: Graphical representation and z-matrix co-ordination for project molecule. To assist in orientation of additional molecules.
Computer System: Windows NT


Name: Sophie Hon
Department: Chemistry
Organisation: Virginia Tech
E-Mail: shon@vt.edu
Comments: Visualize input/output z-matrices in 3-D, and more...
Computer System: Windows NT


Name: Viktorya Aviyente
Department: Chemistry Department
Organisation: Bogazici University
E-Mail: aviye@boun.edu.tr
Comments: to visualize the gaussian and mopac outputs for structural and electronic data
Computer System: Digital DEC Unix 4.0c


Name: Damian G. Allis
Department: Chemistry and Biochemistry
Organisation: Syracuse University
E-Mail: dgallis@syr.edu
Comments: Use with NWChem and Gaussian to visualize orbitals in metallaborane clusters.
Computer System: DEC OSF


Name: Prof. F.J. Olivares del Valle
Department: Physical Chemistry
Organisation: Extremadura University
E-Mail: fjov@unex.es
Comments:
Computer System: SunOS planck 5.6 Generic_105181-03 sun4u sparc SUNW,Ultra-2


Name: zdravko
Department: biologija
Organisation: gimnazija vic
E-Mail: zdravko.keglevic@guest.arnes.si
Comments:
Computer System:


Name: Dominique Marc Wehrli
Department: Chemistry
Organisation: ETH Zuerich
E-Mail: dwehrli@stud.chem.ethz.ch
Comments:
Computer System: linux


Name: Alexanader Auer
Department: theoretical Chemistry
Organisation: University of Mainz
E-Mail: Alexander.Auer@Uni-koeln.de
Comments: I am working in the DALTON group and have been asked to write a n iterface for the MOLDEN software. MOLDEN seems to the best thing in visualizing el. structure I seen so far. A brief description about the DALTON program package can be found at www.kjemi.uio.no/software/dalton/dalton.html
Computer System: Linux


Name: Naoko Akiya
Department: Chemical Engineering
Organisation: University of Michigan
E-Mail: nakiya@engin.umich.edu
Comments: Vizualization of Gaussian 94 results.
Computer System: Sun, HP


Name: Dr. M. Ramalingam
Department: Chemistry
Organisation: Rajah Serfoji Govt. College,
E-Mail: ramalingam1@excite.com
Comments: to analyse frequencies to locate the transition states and to analyse the electrostatic potential surface etc.
Computer System: windows95


Name: Gloria Esperanza Moyano
Department: Química
Organisation: Universidad Nacional, Grupo de Química Teórica
E-Mail: gemoyano@ciencias.ciencias.unal.edu.co
Comments: We want to use this program as a tool for teaching theoretical chemistry (undergraduate curriculum)
Computer System: Windows95-98 and UNIX (OSF)


Name: Chandra Saravanan
Department: Department of Chemistry
Organisation: University of Massachusetts
E-Mail: saru@chem.umass.edu
Comments: To read input and output files of GAUSSIAN
Computer System: IBM RS/6000


Name: Adri Supardi
Department: Physics
Organisation: Airlangga University
E-Mail: adri.supardi@mailcity.com
Comments: - electronic structure of molecule
Computer System: Windows 95


Name: javier rodriguez
Department: QUIMICA INORGANICA
Organisation: UNIVERSIDAD DE BUENOS AIRES
E-Mail: dario@q1.fcen.uba.ar
Comments:
Computer System: Silicon Graphics


Name: wei yang
Department: Department of Chemistry
Organisation: State University of New York at Stony Brook
E-Mail: weyang@ic.sunysb.edu
Comments: I will use Molden to view the results from Gaussian, Gamess and Mopac.
Computer System: window95


Name: Ingo Rogner
Department: Organic Chemistry
Organisation: University of Munich
E-Mail:
Comments: Visualisation of electron density after Mopac 6.0 calculation
Computer System: win nt


Name: Arnulfo Poveda
Department: Química - Laboratorio de Compuestos de Coordinación
Organisation: Universidad Nacional de Colombia
E-Mail: apovedap@ciencias.ciencias.unal.edu.co
Comments: We want to use the program as help for plot d orbitals and electronic densities, specially of transition metals and coordination compounds.
Computer System: Windows98


Name: Taurian Oscar Emilio
Department: Quimica y Fisica
Organisation: Universidad Nacional de Rio Cuarto
E-Mail: otaurian@cdc.unrc.edu.ar
Comments: Plotting of electron densities of molecules
Computer System: PowerPC, Pentium and Sun


Name: Massimiliano Arca
Department: Chimica e Tecnologie Inorganiche e Metallorganiche
Organisation: Università degli Studi di Cagliari
E-Mail: marca@vaxca1.unica.it
Comments:
Computer System: Win98


Name: Vasilios S. Melissas
Department: Institute of Physical Chemistry, Molecular Modeling of Materials Lab
Organisation: N.R.C.P.S. "Demokritos"
E-Mail: melissas@chem.auth.gr
Comments: Graphical representation of Gaussian outputs.
Computer System: WindowsNT


Name: Steven K. Pollack
Department: Department of Chemistry
Organisation: Howard University
E-Mail: spollack@howard.edu
Comments: We teach a class in molecular modeling using Spartan, Gaussian and other packages. We want to introduce MOLDEn as a front end for Gaussian
Computer System: SGI and Windows NT


Name: ZHIHUI PENG
Department: Chemistry
Organisation: University of California Irvine
E-Mail: pengz@uci.edu
Comments:
Computer System: UNIX


Name: Paulo Couto
Department: none
Organisation: none
E-Mail: none
Comments:
Computer System: win95


Name: Nobuharu KAWAHARA
Department: Basic and applied science
Organisation: University of Tokyo
E-Mail: nobuharu@kk.iij4u.or.jp
Comments: To learn biochemistry. To make clear about chemical reaction.
Computer System: windows95 and/or linux(slackware)


Name: Hofmann
Department: Inst. of Physic. + Theoret. Chemistry
Organisation: University of Leipzig
E-Mail: hofmann@thkin.pci.uni-leipzig.de
Comments: Examination of Gaussian outputs: Check geometry opt.s in Detail and measure some interesting bonds
Computer System: IRIX 6.3


Name: Lauro Camargo Dias Junior
Department: Instituto de Quimica
Organisation: Universidade Estadual de Campinas
E-Mail: laurocd@iqm.unicamp.br
Comments: To plot Molecular orbitals of dyes
Computer System: Unix


Name: tahsin alnakib
Department: Pharm. Chem.
Organisation: faculty of pharmacy, kuwait University
E-Mail: tahsin@hsc.kuniv.edu.kw; tahsin@kuc01.kuniv.edu.kw
Comments: I am downloading this for the first time, looking forward to using it in our modelling problems, hoping it will work fully for us.
Computer System: win98


Name: Mauro Causa'
Department: Department of Sciences and Technology
Organisation: University of Eastern Piedmont
E-Mail: causa@ch.unito.it
Comments: Analysing and editing inputs and outputs of electronic structure programs (gaussian, crystal)
Computer System: various Unix + linux + windows95


Name: Alain Rochefort
Department: Materials Modeling Group
Organisation: CERCA
E-Mail: rochefor@cerca.umontreal.ca
Comments: Building and viewing molecules for Gamess and Tinker.
Computer System: IRIX-6.3


Name: Yoong-Kee Choe
Department: Applied Chemistry, The University of Tokyo
Organisation: Hirao Lab.
E-Mail:
Comments:
Computer System: IBM RS6000,SP2


Name: Ronald M. Graf
Department: Chemistry
Organisation: Swiss Federal Institute of Technology
E-Mail: rgraf@stud.chem.ethz.ch
Comments: visualisation of output from GAMESS studying purposes
Computer System: HP/UX 11.0


Name: Nikola Vukelic, PhD
Department:
Organisation: Faculty of Physical Chemistry
E-Mail: nikolav.ffh.bg.ac.yu
Comments: students education
Computer System: win98/NT


Name: Man-Chul Suh
Department: Chemistry
Organisation: Korea Polytechnic University
E-Mail: mcsbk@netsgo.com
Comments:
Computer System:


Name: Daniel Tunega
Department: Institute for Theoretical and Radiation Chemistry
Organisation: InstituUniversity of Vienna
E-Mail: Daniel.Tunega@itc.univie.ac.at
Comments: Visualisation of G9x results and prepairing inputs
Computer System: Linux, IBM/RS6000


Name: Hans Lischka
Department: Institute for Theoretical Chemistry
Organisation: University of Vienna
E-Mail: hans.lischka@univie.ac.at
Comments: Gaussian 98 applications
Computer System: Windows 98


Name: Raymond Jensen
Department: Chemistry
Organisation: Carnegie Mellon UNiversity
E-Mail: jensen@cmu.edu
Comments: Gaussian94 input and output files.
Computer System: unix, winNT


Name: Yuka KOBAYASHI
Department: Applied Chemistry
Organisation: Tokyo Univ.
E-Mail: yuka@qcl.t.u-tokyo.ac.jp
Comments:
Computer System:


Name: Jianren Bao
Department: Physics
Organisation: Experiment Physics II, University Bayreuth
E-Mail: bao@btp2x1.phy.uni-bayreuth.de
Comments:
Computer System: Linux, DEC Unix


Name: Miklos J. Szabo
Department: Chemistry
Organisation: Phillips-Uni, Marburg
E-Mail: szabom@chemie.uni-marburg.de
Comments:
Computer System: Win95


Name: Steven Williams
Department:
Organisation:
E-Mail: stevenaw@erols.com
Comments: I am a chemistry major at Virginia Commonwealth Unviversity currently using GAMESS to do various calculations. Molden will help give me a visualization of the output files I have generated.
Computer System:


Name: Kevin Range
Department: Chemistry
Organisation: University of Minnesota
E-Mail: range006@tc.umn.edu
Comments: Computational chemistry research
Computer System: Linux/Intel


Name: Xianghong Li
Department: Department of Biochemistry
Organisation: University of Maryland, Baltimore
E-Mail: xli002@umaryland.edu
Comments: View protein structure
Computer System: WinNT


Name: Allouche David
Department: physique
Organisation: laboratoire physique quantique
E-Mail: allouche@irsamc1.ups-tlse.fr
Comments:
Computer System: linux


Name: RAFFY Christophe
Department: LTPCM
Organisation: INPG
E-Mail: craffy@ltpcm.inpg.fr
Comments: I would like to display the molecular vibrations and the electronic density, from the GAMESS or GAUSSIAN outputs.
Computer System:


Name: Dale Braden
Department: Department of Chemistry
Organisation: University of Oregon
E-Mail: genghis@darkwing.uoregon.edu
Comments: Animation of vibrations, plotting of orbitals and electron densities from Gaussian 94/98 files.
Computer System: linux


Name: Mauricio Esguerra
Department: Cundinamarca
Organisation: Universidad Nacional de Colombia
E-Mail: esguerra@mentecolectiva.com
Comments: Visualization of results obtained from gamess-us and gaussian-98
Computer System: Pentium II PC & Alpha 3000/400


Name: Poteau Romuald
Department: Laboratoire de Physique Quantique, IRSAMC
Organisation: Université Paul Sabatier
E-Mail: romuald@irsamc1.ups-tlse.fr
Comments: visualization of MO/densities issued from gaussian98
Computer System: linux i86


Name: Zbigniew KISIEL
Department: Laboratory of MM- and SUBMM-wave spectroscopy
Organisation: Institute of Physics, Polish Academy of Sciences
E-Mail: kisiel@ifpan.edu.pl
Comments: Visualisation of work done with GAMESS-US
Computer System: sgi


Name: Bhupendra Wakankar
Department: Department of Chemical Engineering
Organisation: University of Connecticut
E-Mail: bhupen@engr.uconn.edu
Comments: with GAMESS
Computer System: Unix


Name: Derek Feichtinger
Department: Organic Chemistry
Organisation: ETH Zurich
E-Mail: feichtinger@org.chem.ethz.ch
Comments: Visualisation of Gaussian outputs and outputs of our own programs via a converter. Molden is a great program!
Computer System: RS6000, DEC ALPHA, PC (Linux)


Name: Brito, Gilberto Augusto de Oliveira
Department: Chemistry
Organisation: LIEC
E-Mail: pgil@iris.ufscar.br
Comments:
Computer System: quantum mechanics


Name: Oreola Donini
Department: Department of Pharmaceutical Chemistry
Organisation: University of California San Francisco
E-Mail: donini@cgl.ucsf.edu
Comments: Visualize vibrational frequencies
Computer System: DEC


Name: Ruth Tanner
Department: Chemistry & Biochemistry Department
Organisation: University of Guelph
E-Mail: rtanner@uoguelph.ca
Comments: - viewing vibrational frequencies - building Z-matrices
Computer System: IRIX, FreeBSD, Windows 95


Name: Dr. Pedro Merino
Department: Quimica Organica
Organisation: Universidad de Zaragoza
E-Mail: pmerino@posta.unizar.es
Comments: Viewer for Gaussian98 and GAMESS
Computer System: Pentium II MMX 450 MHz


Name: Xin LU
Department: Department of Chemistry
Organisation: Xiamen University
E-Mail: xinlu@xmu.edu.cn
Comments: Quantum Chemistry Study of Adsorption and the Relevant Processes on Solid Surfaces.
Computer System: IRIX6.1 and IRIX6.2


Name: Stella Maris Resende
Department: Departamento de Quimica
Organisation: Universidade Federal de Minas Gerais
E-Mail: stella@netuno.qui.ufmg.br
Comments: visualization of gaussian and gamess output files.
Computer System: SUN, DIGITAL


Name: Benjamin L. Miller
Department: Department of Chemistry
Organisation: University of Rochester
E-Mail: miller@miller1.chem.rochester.edu
Comments: Visualization of orbitals from Gaussian-98 calculations
Computer System: Linux/Xwindows, SGI/Xwindows


Name: Dirk Steinbach
Department: Umweltnaturwissenschaften
Organisation: ETH Zuerich
E-Mail: Dirk_Steinbach@hotmail.com
Comments:
Computer System: Linux/Winnt


Name: Mihail Atanasov, Prof.Dr.
Department: Fachbereich Chemie
Organisation: Philipps-Universitaet
E-Mail: ata@ax1505.chemie.uni-marburg.de
Comments: We would like to use MOLDEN for visualization of geometries and electronic densities of data obtained using the ADF-program for which a license on these workstation was recently obtained. For that purpose the present user needs also the program ADFrom, which converts outputs of ADF for use by MOLDEN. The user worked with the two programs during a stay as a guest in Fribourg in 1998.
Computer System: DEC-ALPHA 433 AU DU4.0


Name: Dr. Henry Heydt
Department: Department of Chemistry
Organisation: University of Kaiserslautern
E-Mail: heydt@chemie.uni-kl.de
Comments: Visualization of calculated molecules by ab initio methods.
Computer System: SGI IRIS Indigo R4000


Name: Wellenzohn Bernd
Department: Institute of general inorganic and theoretical chemistry
Organisation: University Innsbruck
E-Mail: Bernd.Wellenzohn@uibk.ac.at
Comments:
Computer System: Linux


Name: Charles Macdonald
Department: Chemistry
Organisation: University of Texas at Austin
E-Mail: drchuck@mail.utexas.edu
Comments: Visualization of MO's from G94/G98 calculations of low coordinate or multiple-bonded compounds
Computer System: Windows95


Name: Alexandre Hocquet
Department: Tour 22-12, 3e etage
Organisation: LPBC
E-Mail: hocquet@lpbcsun.lpbc.jussieu.fr
Comments: monitoring gaussian outputs
Computer System: linux


Name: Tetsuya Kaneko
Department: Department of Chemistry
Organisation: Niigata Univ.Japan.
E-Mail: tetsuya@curie.sc.niigata-u.ac.jp
Comments:
Computer System: Linux (Debian Gnu/Linux)


Name: Dr. Hans-Juergen Deyerl
Department: Chemistry and Biochemistry
Organisation: University of California San Diego (UCSD)
E-Mail: hdeyerl@chem.ucsd.edu
Comments: I used MOLDEN at the ETH in Zuerich as a PhD student for viewing geometry,normal modes and orbitals. I used G94 as a quantum mechanikal program. Now I want to install now MOLDEN here at UCSD to support my Post-doctoral research. Regards, Hans-Juergen
Computer System: AIX


Name: Gelize
Department: Chimie
Organisation: Université de Pau
E-Mail: michel.gelize@univ-pau.fr
Comments:
Computer System:


Name: Luciano P Gomes
Department:
Organisation:
E-Mail: lugomes@homtail.com
Comments: I intend to use in my Master Degree thesis in Molecular Modelling in Tat HIV-1, to obtain a inhibitor.
Computer System: Pentium MMX - PC


Name: Gerardo Gonzalez
Department: Dept. of Chemistry
Organisation: Universidad de Camaguey
E-Mail: gerardo@reduc.cmw.edu.cu, gerardo@fq.oc.uh.cu
Comments: To obtain adequate graphical representation of molecular orbitals, as calculated by standard QC package.
Computer System: windows, linux


Name: Cornelia Sieber
Department: Chemical Engineering
Organisation: Massachusetts Institute of Technology
E-Mail: cbauer@mit.edu
Comments: Visualization of Gaussian output, especially progress of geometry optimization
Computer System: HP, SGI


Name: Hiram Beltran
Department: CHEMISTRY
Organisation: CINVESTAV
E-Mail: hbeltran@enigma.red.cinvestav.mx
Comments: Molecular dynamics, theoretical calculations
Computer System: Linux, UNIX, winNT


Name: Jonathan Dick
Department: Chemistry Department
Organisation: Fresno Pacific University
E-Mail: pjdick@fresno.edu
Comments: visualization of Gaussian 94W output
Computer System: win95


Name: Mark Rees
Department: Polymer Chemistry
Organisation: Technical University of Eindhoven
E-Mail: m.rees@tue.nl
Comments: Interaction with Gaussian98
Computer System: Win95


Name: Jenni Driver
Department: Chemistry
Organisation: Australian National University
E-Mail: jdriver@cfmeu.asn.au
Comments:
Computer System: Pentium/ Win95


Name: Eduardo Mendez Villuendas
Department: PHISICS
Organisation: UNIVERSIDAD AUTONOMA METROPOLITANA
E-Mail: eduardo@fismol.uam.mx
Comments: I want to learn a little bit about the molecules whit your program Tanks
Computer System: digital ALPA dec 3000


Name: Roland Schanz
Department: Institut fuer theo. und phys. Chemie
Organisation: Humboldt-Universitaet zu Berlin
E-Mail: roland@npe01.chemie.hu-berlin.de
Comments: ampac, turbomol, gamess
Computer System: hp, linux


Name: Beda Kosata
Department: Department of Organic Chemistry
Organisation: VSCHT
E-Mail: kosatab@vscht.cz
Comments: visualization of molecular properties computed in GAMESS on my home-PC, especialy visualization of MO's
Computer System: Win 98


Name: Mao Xiang
Department: Lab of Molecular Regulation for Microbial Secondary Metabolism
Organisation: Shanghai Institute of Plant Physiology
E-Mail: xmao@iris.sipp.ac.cn
Comments:
Computer System: O2 from SGI


Name: Vladimir Kharlanov
Department:
Organisation: Institute Physical and Organic Chemistry, Rostov State University
E-Mail: vlad@ipoc.rnd.runnet.ru
Comments:
Computer System: windows95


Name: Navindra Gunawardena
Department:
Organisation: Westview High School
E-Mail: rgunawar@hevanet.com
Comments: creating strucutures and viewing gamess output
Computer System: Linux


Name: Ronald D. Poshusta
Department: Chemistry Department
Organisation: Washington State University
E-Mail: poshustr@wsu.edu
Comments: Teaching and research visualizing molecular struture and vibrations.
Computer System: SGI


Name: Herminsul Cano
Department: Chemistry and Biochemistry
Organisation: Florida atlantic University
E-Mail: cano@chemindy.sci.fau.edu
Comments: I would like to see the vibrational frequencies from the outputs of gaussian calculations
Computer System: pentiun windows NT 4.0


Name: Stepanoff
Department: -
Organisation: SRI"CHIMANALYT"
E-Mail: servek@mail.wplus.net
Comments:
Computer System: W95


Name: margaret czerw
Department: chemistry
Organisation: rutgers university
E-Mail: marczerw@rutchem.rutgers.edu
Comments:
Computer System: sgi


Name: Alvin Blue
Department: Chemistry
Organisation: Center for Computational Modeling and Structure
E-Mail: ablue@tiger.jsums.edu
Comments: Analyze structures for HF research.
Computer System: Sun MicroSystem


Name: Hannemann
Department: Jansen
Organisation: MPI FKF
E-Mail: hanneman@jansen.mpi-stuttgart.mpg.de
Comments:
Computer System: SUN Solaris 2.6 LINUX


Name: Isaias Juarez Ramirez
Department: Cidemac
Organisation: Universidad Autonoma de Nuevo Leon
E-Mail: ijuarez@ccr.dsi.uanl.mx
Comments: For caracterization of structures or find more information about structures
Computer System:


Name: Andrzej Krzysztofowicz
Department: Applied Physics and Mathematics
Organisation: Technical University of Gdansk
E-Mail: ankry@mif.pg.gda.pl
Comments:
Computer System: Linux


Name: BOGGIA Raffaella
Department: Dipartimento di Chimica e Tecnologie Farmac. e Alim.
Organisation: University of Genoa (ITALY)
E-Mail: raffa@anchem.unige.it
Comments:
Computer System: SGI-Indigo2


Name: Roberto Tejero
Department: Physical Chemistry
Organisation: University of Valencia
E-Mail: tejero@uv.es
Comments:
Computer System: Linux and SGI


Name: Jonas Oxgaard
Department: Chemistry and Biochemistry
Organisation: University of Notre Dame
E-Mail: joxgaard@nd.edu
Comments: visualization of applied computations of radical cation hydrocarbons mostly. And whatever we can think of in the meantime
Computer System: NT4.0, UNIX


Name: Zbigniew L. Gasyna
Department: Chemistry
Organisation: The University of Chicago
E-Mail: zlgasyna@rainbow.uchicago.edu
Comments: Viewing GAMESS and Gaussian output
Computer System: Unix


Name: Dr. Alexander Trofimov
Department: Chemistry
Organisation: Irkutsk State University
E-Mail: atrof@math.isu.runnet.ru
Comments: Own research and education
Computer System: Intel / Linux


Name: Masafumi Unno
Department: Department of Applied Chemistry
Organisation: Gunma University
E-Mail: unno@chem.gunma-u.ac.jp
Comments: Drawing of the result of Gaussian 98.
Computer System: SGI (IRIX6.3)


Name: hendrik zipse
Department:
Organisation: dept chemistry
E-Mail: zipse@cup.uni-muenchen.de
Comments: check input for and output of a number of quantum chemistry codes (Gaussian, Gamess)
Computer System: SGI


Name: F. Jorge López Herrera
Department: Organic Chemistry
Organisation: University of Málaga
E-Mail: lopezherrera@uma.es
Comments: To use in class with student
Computer System: PC


Name: Rene Fosdal
Department:
Organisation:
E-Mail: fosdal@cyberdude.com
Comments: I am using it in my spare time. I graduated in chemistry with a M.Sc. in 1995 and are still working on protein related problems. Since the results are mad public on my homepage (for free) I think I can be considered a kind of academic user though I am not related to any educational institution (I hope so :-) ).
Computer System: Linux 2.1.*, X11 R6.3


Name: Gene Lamm
Department: Chemistry
Organisation: University of Louisville
E-Mail: glamm@louisville.edu
Comments: decent orbital visualization
Computer System: NT, Linux


Name: Fernando R. Clemente
Department: Organic Chemistry
Organisation: University of Extremadura
E-Mail: fclement@unex.es
Comments: Visualization and printing GAMESS or GAUSSIAN outputs with academic purposes.
Computer System: PC-Linux


Name: Aileen Lozsan
Department: Physical Chemistry
Organisation: Universidad Central de Venezuela
E-Mail: alozsan@hades.ciens.ucv.ve
Comments: Spin Electronic Density Map
Computer System: linux red hat 5.2


Name: Jens Antony
Department: Department of Mathematics and Physics
Organisation: The Agricultural University
E-Mail: antony@dina.kvl.dk
Comments: Preparation of input files & Visualisation of results
Computer System: Linux


Name: D. sivanesan
Department: chemical laboratory
Organisation: central leather research institute
E-Mail: clrimd@md2.vsnl.net.in
Comments: for the calculation of molecular properties
Computer System: nil


Name: Povilas Lukinskas
Department: Chemical and petroleum engineering
Organisation: University of Pittsburgh
E-Mail: povilas@pitt.edu
Comments: For the visualization of the gaussian output files
Computer System: windows NT


Name: Christian Teutloff
Department: Max-Volmer-Institut
Organisation: Technische Universität Berlin
E-Mail: teutloff@struktur.chem.tu-berlin.de
Comments: at this time I will use Molden for building molecules with the Z-mat editor and view the output files from Gaussian94 jobs + generate postscript pictures from the optimized molecule structure
Computer System: AIX 4.2


Name: paul sezonov
Department: computing
Organisation: center of organic chemistry
E-Mail: 71141
Comments: testing
Computer System: suse linux


Name: David Lloyd
Department: Pharmaceutical Chemistry Department
Organisation: School of Pharmacy
E-Mail: lloyddg@tcd,ie
Comments: To visualise output from GAMESS-UK
Computer System: SGI - O2


Name: Sebastian Canagaratna
Department: Chemistry
Organisation: Ohio Northern University
E-Mail: s-canagaratna@onu.edu
Comments: Acadamic
Computer System: Linux, Solaris


Name: Peter Bokes
Department: Dept. of Physics
Organisation: Slovak Tech. Univ., Faculty of Electrical Eng.
E-Mail: bokes@elf.stuba.sk
Comments: Vizualization of the results of gamess calculations ( now - protonated hydrogen clusters - H_(2n-1)+ )
Computer System: SGI,Linux


Name: Rob Lahaye
Department: Physical Chemistry
Organisation: Pohang University of Science and Technology
E-Mail: lahaye@postech.ac.kr
Comments: Animation of molecular dynamics simulations for the scattering of atoms/molecules from surfaces.
Computer System: Linux / i386


Name: Hliwa Mohamed
Department: Molecular Electronic
Organisation: CEMES-CNRS
E-Mail: hliwa@cemes.fr
Comments: For use after quantum-Chemestry calculation by Gaussian and/or Gamess packages
Computer System: PC- biPentium 300- Linux(RedHat 5.0)


Name: Georg Hetzer
Department: Institut fuer Theoretische Chemie
Organisation: Universitaet Stuttgart
E-Mail: hetzer@theochem.uni-stuttgart.de
Comments: Visualization of geometries and normal modes generated by Gaussian and Molpro
Computer System: HP-UX 10.20, Solaris 7


Name: Valerie Brenner
Department: Dept. de Science de le Matiere
Organisation: Commissariat a L'energie Atomique
E-Mail: brenner@olive.saclay.cea.fr
Comments: visualisation of molecular geometry
Computer System: SGI, SUN, IBM


Name: John Kendrick
Department: Technology
Organisation: ICI
E-Mail: john_kendrick@ici.com
Comments: Use with GAMESS_UK
Computer System: SGI, PC


Name: Eduardo Ariel Menendez Proupin
Department: Theoretical Physics
Organisation: University of Havana
E-Mail: eariel@ff.oc.uh.cu
Comments: Tool for solid state ab-initio calculations
Computer System: XWindows, Windows 95


Name: Eduardo Lemos de Sa
Department: Quimica
Organisation: Universidade Federal do Parana
E-Mail: edulsa@quimica.ufpr.br
Comments: I will expect an aplicative useable by simple commands and very versatile
Computer System: WinNT and FreeBSD


Name: Serge Pissarev
Department: QSAR and Computational Organic Chemistry Group, Chair of Organic Chemistry
Organisation: Moscow State University
E-Mail: serge@org.chem.msu.su
Comments: View of cycles' conformations from GAMESS-US (PC GAMESS), G98 and MOPAC. Better see the structure in 3D than only in digits:)
Computer System: Win32, Linux


Name: Kevin Gross
Department: Chemistry
Organisation: Wright State University
E-Mail: gross.4@wright.edu
Comments: Use to visualize output from GAMESS
Computer System: Intel -- WindowsNT


Name: Vandyukov A.E.
Department: laboratory of Molecular Spectroscopy
Organisation: Institut of Organic and Physical Chemistry
E-Mail: sasha@iopc.kcn.ru
Comments:
Computer System:


Name: Dr S Manogaran
Department: Chemistry
Organisation: IIT Kanpur
E-Mail: sm@iitk.ac.in
Comments: To see the molecular pisture of gausian output files
Computer System: Associate Profess


Name: Richard Iannone
Department:
Organisation:
E-Mail: riannone@flash.lakeheadu.ca
Comments: Simply to learn more. I am a curious one, and, I'm surveying a number of chemistry applications for use with Linux.
Computer System: i386


Name: Kristan Markey
Department: Chemistry Department
Organisation: Colorado College
E-Mail: k_markey@ColoradoCollege.edu
Comments: visualization of Gaussian and GAMESS output files
Computer System: irix


Name: Martin Janota
Department: Prague
Organisation: Charles Univesity Of Prague
E-Mail: janota@prfdec.natur.cuni.cz
Comments: In my Diploms work I need the atom and molekular orbitals picture. I expect graphicly good and intelligible picture.
Computer System: MC Windows 95


Name: Mary Ann kurinovich
Department: Chemistry
Organisation: Rutgers University
E-Mail: mkurinov@rutchem.rutgers.edu
Comments: To view and analyze Gaussian output files
Computer System:


Name: Jan Frunzke
Department: Dept. of Organic Chemistry
Organisation: University of Kaiserslautern
E-Mail: frunzke@rhrk.uni-kl.de
Comments: reading and preparing gaussian files
Computer System: Linux


Name: Dr. Andreas Goeller
Department: Inst. for Physical Chemistry
Organisation: Uni Jena
E-Mail: goeller@pc04.chemie.uni-jena.de
Comments: student course on QC, scientific work
Computer System: dec win NT


Name: Josep M. Oliva
Department: Theoretical Chemistry
Organisation: Institut de Ciencia de Materials de Barcelona (CSIC)
E-Mail: jmo@kanigo.icmab.es
Comments: Electronic structure analysis in molecules and clusters. (I was already registered in 1996, but I have now moved from Bristol to Barcelona, Spain)
Computer System: SGI / Irix6.5


Name: Qiqing Zhu
Department: DEPT of CHEM
Organisation: UNIV OF ILLINOIS AT CHICAGO
E-Mail: zhqq@uic.edu
Comments:
Computer System: SGI IRIX


Name: Takaki HATSUI
Department: Science/Chemistry
Organisation: Tokyo University
E-Mail: hatsui@chem.s.u-tokyo.ac.jp
Comments: analysis of the output data from DeMon program
Computer System: Windows and Linux


Name: Daniel Herzog
Department: Organic Chemistry
Organisation: University of Leipzig
E-Mail: dherzog@fbch.tuwien.ac.at
Comments: whant to try this famouse program
Computer System: linux


Name: Dr. James Newhouse
Department: Applications
Organisation: Maui High Performance Computing Center
E-Mail: newhojs@mhpcc.edu
Comments: I plan to make MOLDEN available to users of MOLPRO Gaussian and Gamess on our system for visualizing calculation results.
Computer System: IBM SP


Name: Francoise Gracian
Department: Computing Center of the University of PAU
Organisation: C.I.U.P.P.A. - I.F.R
E-Mail: Francoise.Gracian@univ-pau.fr
Comments: Christian WAGNER, a computer guy installed it
Computer System: RISC 6000/AIX 4.1.4


Name: Emilio Orgaz
Department: Chemistry Department
Organisation: University of Paris-Sud
E-Mail: eob@mg.isma.u-psud.fr
Comments: i downloaded molden to evaluate. I'm plannig to use it with gamess for teaching and a part of my research (theoretical solid st. chem.)
Computer System: RS600-390


Name: De. A. Fasolino
Department: Theoretische Fysica
Organisation: Katholieke Universiteit Nijmegen
E-Mail: fasolino@sci.kun.nl
Comments: Prakticum met MD visualisatie
Computer System: Sun


Name: Ralph Puchta
Department:
Organisation:
E-Mail: puchta@anorganik.chemie.uni-erlangen.de
Comments: Thank you for your good prog.
Computer System: PC, Linux


Name: HUTSCHKA Francois
Department:
Organisation: Laboratoire de Chimie Quantique
E-Mail: hutschka@quantix.u-strasbg.fr
Comments: I'm a Ph.D student in computational chemistry and I am using molden essentially to visualize molecular orbitals. Now I am trying to visualize the Electrostatic potential at the conolly surface of the molecule.
Computer System: IBM RS/6000, AIX 3.2.5


Name: Dr Denis Duflot
Department: UFR de Physique/CERLA
Organisation: Laboratoire de Dynamique Moleculaire et Photonique
E-Mail: duflot@lsmsil.univ-lille1.fr
Comments: Visualization of MO's and vibrational modes of small polyatomic molecules after GAUSSIAN94 calculations
Computer System: Silicon Graphics R4400


Name: Stanislaw Kucharski
Department: Inst. Org. and Polymer Technology
Organisation: Wroclaw Technical University
E-Mail: stanley@stan.ch.pwr.wroc.pl
Comments: Visualization of quantum mechanics calculations : Gaussian, GAMESS (US), MOPAC
Computer System: Linux and Pentium PC


Name: BACKES Alexander Christian
Department: Institute of Organic Chemistry
Organisation: University of Tuebingen
E-Mail: alexander.backes@uni-tuebingen.de
Comments: Visualize Gaussian94-outputs
Computer System: SGI Indy, IRIX 5.3


Name: Hiroshi Matsui
Department: Information Systems Office
Organisation: Sumitomo Chemical Co., Ltd.
E-Mail: matsui@mkiris01.sumitomo-chem.co.jp
Comments: Mainly postprocessing for MOPAC93 and Gaussian 94
Computer System: SGI 310/VGX, IRIX 5.3


Name: Phillip Sinclair
Department: The Davy Faraday Research Lab.
Organisation: Royal Institution of Great Britain
E-Mail: phillip@ri.ac.uk
Comments: Gaussian 92 densities, structures, MOs etc.
Computer System: SGI Power Challenge - running IRIS 6.1


Name: Carlo Adamo
Department: Department of Chemistry
Organisation: University of Basilicata
E-Mail: adamo@pzvx85.cisit.unibas.it
Comments: Input/output from/to gaussian94
Computer System: DEC/Alpha


Name: Aleksander Koll
Department: Faculty of Chemistry
Organisation: Wroclaw University, Poland
E-Mail: akoll@ichuwr.chem.uni.wroc.pl
Comments: We use this program for visualise the normal coordinated, mainly to make earier normal modes assigment. We discuss the charge distrubution and analyse the effects of hydrogen bond formation.
Computer System: UNIX Solaris 2.3


Name: Pierre VATTON
Department: LEDSS
Organisation: Universite Joseph Fourier
E-Mail: Pierre.Vatton@ujf-grenoble.fr
Comments: Gaussian results visualisation for reactivity calculous
Computer System: IBM RS6000


Name: Marina Zakharova
Department: Computer Center
Organisation: Yaroslavl State University
E-Mail: mary@yars.free.net
Comments: Input/output stuff for MOPAC 6.0, visualising the results, MM-modelling etc.
Computer System: AlphaStation 250 4/266, OSF/1


Name: Dr_Pascale MALDIVI
Department: DRFMC/SCIB
Organisation: CEA-Grenoble
E-Mail: pmaldivi@cea.fr
Comments: Visualization of results (molecular orbitals, vibration modes,...) from Gaussian 94 calculations
Computer System: Sun, Dec


Name: Jochen Autschbach
Department: Universitaet Siegen
Organisation: Theoretische Chemie
E-Mail: jochen@unisipc.chemie.uni-siegen.de
Comments: 2D and 3D contour plots of canocical and localized MO's.
Computer System: Linux & RS 6000


Name: Gabriele VALERIO
Department: Laboratoire de Materiaux Catalytiques
Organisation: Ecole Nationale Superieure de Chimie
E-Mail: gabriele@palladium.enscm.fr
Comments: I would like to use Molden for orbitals visualization, as well for Z-matrices creation and inspection.
Computer System: Silicon Graphics-indy iris4d (4400)


Name: Piotr Skurski
Department: Department of Chemistry
Organisation: University of Gdansk
E-Mail: piotr@ewa.chem.univ.gda.pl
Comments: visualizing electron density, orbitals; working with gaussian, gamess, mopac files;
Computer System: IBM RS/6000 3CT


Name: Grace Foo
Department: Supercomputing&Visualization Unit,Computer Center
Organisation: National University of Singapore
E-Mail: ccefoog@nus.sg
Comments: Mainly visualizing output from Gaussian 94 programs.
Computer System: SGI Indigo2


Name: Dr Craig Wilson
Department: School of Chemistry
Organisation: University of Bristol
E-Mail: Craig.Wilson@bristol.ac.uk
Comments: Visualisation of orbitals and normal modes from Gaussian 94 calculations on molecules and reactions of interest in combustion chemistry. It is very useful to be able to see orbitals on the screen, as we are performing CASSCF calculations, and selection of the active space is aided by visualising orbitals using Molden.
Computer System: Silicon Graphics Power Challenge R8000. IRIX 6.0.1


Name: Ho Young Jeong
Department: CAMD Team
Organisation: Kumho Chemical Laboratories
E-Mail: jeonghy@camd1.kkpcr.re.kr
Comments: Visualization for Gaussian 94 and Gamess Results, Thank you
Computer System: SGI IRIX 6.1


Name: Martin Panthoefer
Department: Institut fuer Anorganische Chemie II
Organisation: University of Siegen
E-Mail: zwergle@aeffle.chemie.uni-siegen.de
Comments: Display molecular geometry and normal coordinates of either small molecules or solid state fragments from calculations with GAMESS or GAUSSIAN.
Computer System: SGI Indigo (IRIX 6.2) // PC (Linux)


Name: Daniels
Department: Departement de Chimie Theorique
Organisation: Laboratoire de Chimie du Solide et Inorganique Moleculaire
E-Mail: halet@univ-rennes1.fr, saillard@univ-rennes1.fr
Comments: We are using this beautiful freeware for: - Geometry Visualisation - Orbital Visualisation - SCF Conv Curve - Geometry Optimisation Curves (energie, parameters) - Vibration Modes Visualisation
Computer System:


Name: Stephen P. Molnar, Ph.D.
Department:
Organisation: Foundation for Chemistry
E-Mail: smolnar@postbox.acs.ohio-state.edu
Comments: Visualization or the results of quantum chemical calculations
Computer System: 486DX4-120/Linux


Name: DR. DIVI VENKATESWARLU
Department: MOLECULAR BIOPHYSICS UNIT
Organisation: INDIAN INSTITUTE OF SCIENCE
E-Mail: venkat@mbu.iisc.ernet.in
Comments: working in the field of computational biology, I would be using MOLDEN for the generation of 3D pictures and evaluating the ESP derived partial charges from 6-31G* wavefunction, generated using GAMESS-US package. And also, if necessary, I may be producing electron-density contours of various DNA base-mispairs in order to elucidate the stereo-electronic reasons behind the DNA repair and recognition.
Computer System: SUN SOLARIS


Name: NELSON HENRIQUE MORGON
Department: DEPARTMENT OF CHEMICAL-PHYSICS
Organisation: INSTITUTE OF CHEMISTRY, STATE UNIVERSITY OF CAMPINAS (UNICAMP)
E-Mail: nelson@iqm.unicamp.br
Comments: In analysis of my calculation of electronic structure.
Computer System: AIX, FreeBSD, OSF1


Name: JOANTEGUY Sylvie
Department: Departement Chimie Universite de PAU
Organisation: Laboratoire Physico Chimie Moleculaire
E-Mail: sylvie.joantaguy@univ-pau.fr
Comments: For plot orbitals and density values after Gaussian calculations. Certainly others people of the Laboratory are interressing by molden and use it. Thank you
Computer System:


Name: Prof. Dr. N. Roesch
Department: Theoretical Chemistry
Organisation: Technical University of Munich
E-Mail: hahn@theochem.tu-muenchen.de, roesch@theochem.tu-muenchen.de
Comments: Visualization of frequencies and orbitals
Computer System: Silicon Graphics Indigo


Name: Marat R. Sharafutdinov
Department: Material science
Organisation: ISSC & SSRC SB RAS
E-Mail: delano@sunsr.inp.nsk.su
Comments: preparing files for MOPAC very good program , moreover, the best. Suggestion : what do you think about molden for Windows ?
Computer System: SunOS 4.1.3


Name: Jeroen van Hoof
Department: Theoretische Fysica
Organisation: Katholieke Universiteit Nijmegen
E-Mail: jeroen@tvs.kun.nl
Comments: visualisation of structures
Computer System: HP-UX 9.02__HP 9000/720


Name: Elmer Valderrama
Department: Centro de Quimica
Organisation: Instituto Venezolano de Investigaciones Cientificas
E-Mail: evaldera@ivic.ivic.ve
Comments: Study of Atomic and Molecular densities. Many thanks for your great program, it contributes as a tool to understand details in mol. and atomic structure. Thanks also for making it public.
Computer System: IBM 3CT_(AIX 4.1)


Name: Juan Manuel Gutierrez-Zorrilla Lopez
Department: Inorganic Chemistry
Organisation: Basque Country University (UPV/EHU)
E-Mail: qipguloj@lg.ehu.es
Comments: To visualize MO of molecules calculated with Gaussian94 and GAMESS-US. Also to visualize the Laplacian of the electronic density of these molecules. Thank you very much
Computer System: Digital UNIX


Name:
Department:
Organisation:
E-Mail:
Comments:
Computer System:


Name: Jacques BONVOISIN
Department:
Organisation: CNRS/CEMES-LOE
E-Mail: bonvoisi@cemes.cemes.fr
Comments:
Computer System:


Name: Jim Hess
Department: Dept. of Chemistry
Organisation: Lehigh University
E-Mail: jh0j@lehigh.edu
Comments:
Computer System:


Name: Nico van Eikema Hommes
Department:
Organisation: University of Erlangen
E-Mail: hommes@organik.uni-erlangen.de
Comments:
Computer System: INDIGO


Name: Mingzuo Shen
Department:
Organisation:
E-Mail: mshen@calvin.chem.uh.edu
Comments:
Computer System:


Name: adel these
Department:
Organisation: BIOPHYSIC laboratory
E-Mail: these@NAXOS.UNICE.FR
Comments:
Computer System:


Name: Feroz Khan
Department:
Organisation: University of Natal
E-Mail: khanf@lourie.und.ac.za
Comments:
Computer System: HP


Name: John S. Tse Ph.D
Department: Steacie Institute for Molecular Science
Organisation: National Research Council of Canada
E-Mail: tse@jtsg.sims.nrc.ca
Comments:
Computer System:


Name: Joao O.M.A. Lins
Department: Quantum Chemistry Group Instituto de Quimica da U.F.R.J
Organisation: Centro de Tecnologia
E-Mail: jomal@dfq.ufrj.br
Comments:
Computer System:


Name: Ernst Wallenborn
Department: Laboratorium fur Physikalische Chemie
Organisation: ETH Zentrum
E-Mail: wall@phys.chem.ethz.ch
Comments:
Computer System:


Name: Matthias Gottschalk
Department:
Organisation: GeoForschungsZentrum
E-Mail: mgott@gfz-potsdam.de
Comments:
Computer System: HP


Name: Nils Naumann
Department: Institute for Plastic Deformation and Plant Machinery
Organisation: University of Mining and Metallurgy
E-Mail: naumann@unileoben.ac.at
Comments:
Computer System: Linux


Name: Jeff Bocarsly
Department: Department of Chemistry
Organisation: University of Connecticut
E-Mail: bocarsly@nucleus.chem.uconn.edu
Comments: MO's GAMESS-US
Computer System: sgi indy


Name: Mark Taylor
Department:
Organisation: adelaide University
E-Mail: mtaylor@chemistry.adelaide.edu.au
Comments: We greatly appreciate all the help that you have given us in relation tomolden and have come to find your program to be invaluable.
Computer System: Irix, Gaussian, Gamess-Us


Name: Mike Durran
Department: Chemistry
Organisation: University of Surrey
E-Mail: chp1dd@surrey.ac.uk
Comments: Analysis of G94 output
Computer System: SGI


Name: C. DEVADOSS
Department: Chemistry,
Organisation: University of Illinois
E-Mail: devadoss@bipolaron.acs.uiuc.edu
Comments: I am using computational softwares like Gaussian 94 and Gamess. I wouldlike to see the electron density and vibrational frequencies calculatedusing these packages.
Computer System: IBM RS6000, AIX 3.2.5


Name: XiaoYan Chang
Department: Chemistry Department
Organisation: University of Toronto
E-Mail: xchang@fock.chem.utoronto.ca
Comments:
Computer System: SGI


Name: Mikko Suomela
Department: Dept. of Chemistry
Organisation: Univ. of Oulu
E-Mail: msu@cc.oulu.fi
Comments: I build molecules, view and measure geometry parameters in screen.
Computer System: PC 486DX4-120 runnin Linux with 16Mb ram


Name: Dr Peter B Karadakov
Department: Department of Chemistry
Organisation: University of Surrey
E-Mail: p.karadakov@surrey.ac.uk
Comments: Visualization of orbitals calculated by means of GAMESS-UK and GAUSSIAN 94,also intend to use it for plotting spin-coupled orbitals (seehttp://ibm.chm.bris.ac.uk/jg.html)
Computer System: IBM RS/6000 43p-133, AIX 4.1.4


Name: Gordon A. Gallup
Department: Dept. of Physics and Astronomy
Organisation: University of Nebraska-Lincoln
E-Mail: ggallup@aloha.unl.edu
Comments: We do not have GAMESS, but use Gaussian92 regularly. This is a RS6000powerpc AIX system.
Computer System: RS6000


Name: Wolf Bors
Department: Inst. Strahlenbiologie
Organisation: GSF Research Center
E-Mail: bors@gsf.de
Comments: structural models for import/export to MOPAC program
Computer System: convex


Name: Ian Baxter
Department: Department of Chemistry
Organisation: Imperial College
E-Mail: ian.baxter@ic.ac.uk
Comments: I use Molden for analysing the outputs from Gaussian runs; geometryoptimisations in particular.
Computer System: Linux / Ultrix


Name: Thomas Hirsch
Department: 3.Physikalische Institut
Organisation: Universitaet Stuttgart
E-Mail: t.hirsch@physik.uni-stuttgart.de
Comments: a few days ago I regognized your software package MolDen. It works pretty good on a HP-715 / HP-UX 10 system.
Computer System: hp unix


Name: Dr. A.M. ter Laak
Department: Molecular Modeling Department
Organisation: Forschungsinstitut Molekulare Pharmakologie
E-Mail: terlaak@fmp.fta-berlin.de
Comments: MOLDEN is used for calculating ESP from 6-31G* basis set ab initio calculations for input in the charge fitting programm RESP
Computer System:


Name: Dr. Hanoch Senderowitz
Department:
Organisation: Tel-Aviv University
E-Mail: sender@chemdc1.tau.ac.il
Comments: First recognised molden users, thanks Hanoch ! Gaussian90/mopac
Computer System: DEC 5000/200 ultrix


Name: Dr. Pinchas Aped
Department:
Organisation: Bar-Ilan University
E-Mail: F66284@BARILVM.bitnet
Comments: QCPE/Gamess
Computer System: RS/6000 AIX 3.2


Name: Gertjan Visser
Department:
Organisation: Technische Univ. Eindhoven
E-Mail: G.J.Visser@urc.tue.nl
Comments: Started me off with the X-window version of Molden
Computer System: ALLIANT / Silicon G


Name: Christoph Heinemann
Department: Prof. Walter Thiel's group
Organisation: Institut fur organische Chemie of the University of Zurich
E-Mail: heineman@oci.unizh.ch
Comments: Gaussian92
Computer System: Indigo (RS6000)


Name: Dirk Huckriede
Department: Conformational Analysis Group
Organisation: Gorlaeus Laboratories
E-Mail: dirk@rulglj.LeidenUniv.nl
Comments: Altona, Leiden doet suikers, Gamess cart. opt. en direct scf
Computer System: Indigo, RS/6000


Name: Henk Verhaar
Department:
Organisation: Rijks Instituut voor Toxicologie
E-Mail: verhaar@cc.ruu.nl
Comments:
Computer System: Vax station


Name: Willem Vermin
Department:
Organisation: SARA
E-Mail: willem_vermin@sara.nl
Comments: "molden on the national supercomputer"
Computer System: Cray/YMP


Name: Juha Muilu
Department: Department of Chemistry
Organisation: University of Joensuu
E-Mail: Juha.Muilu@joensuu.fi
Comments:
Computer System:


Name: Christian Borsdorf
Department: Fakultaet Chemie
Organisation: Universitaet Bielefeld
E-Mail: chris@chep118.uni-bielefeld.de
Comments:
Computer System: HP-workstations


Name: Tom Rush
Department: Department of Chemistry
Organisation: Princeton University
E-Mail: tr3@spiro.princeton.edu
Comments: before that University of Oregon
Computer System: Silicon Graphics


Name: Hans Ullitz-Moeller
Department:
Organisation: EMBnet DenMark
E-Mail: hum@biobase.aau.dk
Comments:
Computer System: DEC Alpha, Ultrix, pc under X-windows


Name: Rodrigo Lopez
Department:
Organisation: EMBnet NorWay
E-Mail: rodrigol@biomed.uio.no
Comments:
Computer System: Sillicon Graphics


Name: Wouter Herrebout
Department: Departement Scheikunde
Organisation: Universitair Centrum Antwerpen
E-Mail: woher@maze.ruca.ua.ac.be
Comments:
Computer System: IBM RS/6000


Name: Don Travlos
Department:
Organisation:
E-Mail: travlsd@risc4.unisa.ac.za
Comments:
Computer System:


Name: Arjen van Langevelde
Department: vakgroep Farmacochemie
Organisation: VU Amsterdam
E-Mail: langveld@chem.vu.nl
Comments:
Computer System:


Name: Chi Leung Cheung
Department: Dept. of Enivronmental & Toxicological Chemistry
Organisation: University of Amsterdam
E-Mail: chi@mtc.chem.uva.nl
Comments: mopac
Computer System: Silicon Graphics


Name: Guido Kickelbick
Department:
Organisation: Institut fuer Anorganische Chemie
E-Mail: kickelgu@fbch.tuwien.ac.at
Comments: gaussian calculation on a organometallic system
Computer System: SGI Challenge L


Name: galen Gawboy
Department: College of Mathematical and Physical Sciences
Organisation: Ohio State University
E-Mail: gawboy@sodium.mps.ohio-state.edu
Comments:
Computer System: sun


Name: john upham
Department: Dept. of Chemistry
Organisation: University of Reading
E-Mail: scsupham@reading.ac.uk
Comments: Gaussian, http://www.chem.rdg.ac.uk/g50/mmrg/john/john.html
Computer System: Silicon Graphics


Name: Peter Wolohan
Department:
Organisation: University of Reading
E-Mail: scpwolan@reading.ac.uk
Comments:
Computer System:


Name: M.G. Govender
Department: Centre for Theoretical and Computational Chemistry, Dept of Chemistry
Organisation: University of Natal
E-Mail: GOVENDEM@che.und.ac.za
Comments:
Computer System: Sun Sparc


Name: Peter Varnai
Department:
Organisation:
E-Mail: sziebert@iris.inc.bme.hu
Comments:
Computer System: Irix


Name: dr. A.M. Brouwer
Department: Amsterdam Institute of Molecular Studies, Laboratory of Organic Chemistry
Organisation: University of Amsterdam
E-Mail: fred@org.chem.uva.nl
Comments:
Computer System: MacX, indigo,rs6000


Name: Roberto Bianco
Department: Department of Chemistry and Biochemistry
Organisation: University of Colorado at Boulder
E-Mail: bianco@lord.colorado.edu
Comments: molecular orbitals plotting
Computer System: Silicon Graphics IRIS Workstation


Name: ALLOUCHE ALAIN
Department: CNRS UMR 6633
Organisation: PHYSIQUE DES INTERACTIONS IONIQUES ET MOLECULAIRES
E-Mail: allouche@piimsdm1.univ-mrs.fr
Comments: I wish to represent MO and electronic density from GAMESS and GAUSSIAN94 calculations.
Computer System: SGI


Name: German Sastre
Department:
Organisation: Instituto de Tecnologia Quimica
E-Mail: gsastre@itq.upv.es
Comments: Molecular Orbital plotting and some others
Computer System: HP


Name: Adam Matzger
Department: Vollhardt Group
Organisation: UC Berkeley
E-Mail: matzger@paloma.cchem.berkeley.edu
Comments: visualize optimizations in Gaussian 94, geometry convergence and vibrations. checking input z-matrices.
Computer System: IBM


Name: Jussi Eloranta
Department: Department of chemistry
Organisation: University of Jyvaskyla
E-Mail: eloranta@jyu.fi
Comments: Frequency analysis, MO visualization, Z-matrix editing, Visualizing molecules. (of Gaussian 94 results)
Computer System: Linux


Name: Prof. Rois Benassi
Department: Dip. di Chimica
Organisation: Universita' di Modena
E-Mail: benassi@c220.unimo.it
Comments: Recently I downloaded the MOLDEN package onto my rs6000 machine and found the program very useful and well designed for a GAUSSIAN user as I am.
Computer System: rs6000


Name: Krzysztof Kuczera
Department: Departments of Chemistry and Biochemistry
Organisation: University of Kansas
E-Mail: kuczera@tedybr.chem.ukans.edu
Comments: visualize GAUSSIAN MO's in research on electronic structure
Computer System: IBM RS/6000 (tedybr) and SGI INDIGO*2 (pekoe)


Name: Julio Murilo Trevas dos Santos
Department: Depto de Quimica
Organisation: Instituto de Quimica - UNICAMP
E-Mail: julio@iqm.unicamp.br
Comments: Gamess95 and Gaussian94 graph. interface
Computer System: FreeBSD


Name: Tommaso Torelli
Department: Department of Physics
Organisation: Univ. of Illinois at Urbana-Champaign
E-Mail: toro@physics.uiuc.edu
Comments: Plot electron density to study electronic structure of various molecular sytems
Computer System: HP 715/80


Name: Zoltan Andor Gal
Department: Chemistry & Physics
Organisation: King's College
E-Mail: zagal@rs01.kings.edu
Comments: Gamess-US interfacing
Computer System: AIX4


Name: Paulo Cesar Piquini
Department: Departamento de Fisica
Organisation: Universidade Federal de Santa Maria
E-Mail: ppiquini@galileo.ccne.ufsm.br
Comments: My hope is to use this software to view the molecular structures, orbitals and densities of my GAMESS jobs.
Computer System: Linux


Name: Camilla Minichino
Department: Chemistry
Organisation: University of Basilicata
E-Mail: minichino@unibas.it
Comments: as a powerful tool to understand, by graphical visualization, the reactivity of molecular system.
Computer System: DEC-Alpha


Name: Dolmat M.S.
Department: Higher Chemical College
Organisation: Russian Academy of Sciences
E-Mail: sos@turpion.ioc.ac.ru
Comments:
Computer System: molden_account


Name: Eugene Kryachko
Department:
Organisation: Bogoliubov Institute for Theoretical Physics Acad. Sci.
E-Mail:
Comments:
Computer System: linux


Name: Gerd Raether
Department: Department of Chemistry
Organisation: Hiroshima University
E-Mail: G.Raether@dkfz-heidelberg.de
Comments: Maybe I'll use it for density plots
Computer System: Power PC


Name: luszniak mc
Department: BEC Department
Organisation: IACR-Rothamsted
E-Mail: cmcl@cds1.dl.ac.uk
Comments:
Computer System: molden_account


Name: Dr. Stanislav Bohm
Department: Dept. of Organic Chemistry
Organisation: Prague Institute of Chemical Technology
E-Mail: Stanislav.Bohm@vscht.cz
Comments: gaussian94
Computer System: IBM AIX 3.2.5


Name: Visvaldas Kairys
Department: Department of Chemistry
Organisation: University of Hawaii
E-Mail: kairys@gold.chem.hawaii.edu
Comments: Plotting the total electron density of clusters; in fact it is useful to observe visually the repulsive `wall' existing between the cluster and some adsorbates(cf. Bagus et al in Quantum Chemistry:basic aspects, actual trends, R.Carbo, editor, p. 475-498, Elsevier,1989). Of course the program can be used for more purposes but I didn't get to them yet:)
Computer System: SunOS 4.1.2


Name: Loew A.
Department: Biochemistry
Organisation: University of Illinois at Chicago
E-Mail: aloew@uic.edu
Comments: molden account
Computer System:


Name: Stefan Schulz
Department: Physical Chemistry
Organisation: Free University Berlin
E-Mail: sschulz@chemie.fu-berlin.de
Comments: molden account
Computer System:


Name: Rich McClellan
Department: Chemistry
Organisation: Univeristy of California
E-Mail: rich@chemistry.ucsc.edu
Comments:
Computer System: Linux-i586


Name: Dariusz Martynowski
Department: Chemistry
Organisation: Technical University of Lodz
E-Mail: darekmar@ck-sg.p.lodz.pl
Comments: I am just a beginner so I am using Molden for seeing results of my calculations from GAMESS.
Computer System: SGI IRIX6.1


Name: Ivan Cernusak
Department: Physical Chemistry
Organisation: Comenius University
E-Mail: cernusak@fns.uniba.sk
Comments: Orbitals, density plots, animation. For students as well as for research.
Computer System: HP9000s735 HP-UX


Name: B. SILVI
Department: Laboratoire de Chimie Theorique
Organisation: Universite Pierre et Marie Curie
E-Mail: silvi@lct.jussieu.fr
Comments: visualization of normal modes and of orbitals
Computer System: R10000


Name: M. E. ALIKHANI
Department: Laboratoire de Spectrochimie Moleculaire
Organisation: Universite de Pierre et Marie Curie
E-Mail: ea@spmol.jussieu.fr
Comments: Visualization of the electronic and vibrational properties of molecules.
Computer System: PC Pentium-pro, Linux


Name: Takatoshi Matsumoto
Department: Agency of Industrial Science and Technology, Ministry of International Trade and Industry.
Organisation: National Institute of Material and Chemical Research
E-Mail: matsu@nimc.go.jp
Comments: What I use Molden is to draw the countor map for the density, electrostatic potential and so on.
Computer System: DEC Alpha 5/333


Name: P. Richard
Department: Chemistry
Organisation: University of Bourgogne
E-Mail: prichard@satie.u-bourgogne.fr
Comments: molden account
Computer System:


Name: Allier
Department: Radiation Tech. group
Organisation: TU Delft
E-Mail: allier@iri.tudelft.nl
Comments: molden account
Computer System:


Name: Kyoichi Sawabe
Department: Department of Engineering
Organisation: Nagoya University
E-Mail: sawabe@apchem.nagoya-u.ac.jp
Comments: To visualize and print molecular orbitals and electron densities of molecules
Computer System: Digital UNIX on DEC alpha 500


Name: T.E. Gerber
Department: Reaktionsanalysen
Organisation: Paul Scherrer Institut
E-Mail: thomas.gerber@psi.ch
Comments: molden account
Computer System:


Name: Dr. Heinrich Selzle
Department: Inst. fuer phys. Chemie
Organisation: TU Muenchen
E-Mail: selzle@modest.phys.chemie.tu-muenchen.de
Comments:
Computer System: SGI DEC


Name: W.G.M. Kohler
Department: science
Organisation: NRC Handelsblad
E-Mail: kohler@nrc.nl
Comments: molden_account
Computer System:


Name: Ingo Brunberg
Department:
Organisation: Universitat-GH
E-Mail:
Comments:
Computer System:


Name: V.G. Zakrzewski
Department: Chemistry
Organisation: Kansas State
E-Mail: vgz@cassandra.chem.ksu.edu
Comments: molden account
Computer System:


Name: Thrier
Department:
Organisation: Technikum Winterthur
E-Mail: tr@twi.ch
Comments: molden account
Computer System:


Name: Laurence COLOMBET
Department: Laboratoire de Chimie Theorique
Organisation: Universite Paris-Sud (Orsay)
E-Mail: colombet@lct.jussieu.fr
Comments: I use Molden to view molecule geometries and forces along reaction pathes (computed with the Gaussian 94 program). I'd like to use it to visualize orbitals too, but it is a bit too long to compute them. I also use Molden in the Laboratoire de Chimie Theorique de l'Universite Pierre et Marie Curie (2 place Jussieu, 75005 Paris).
Computer System: IBM RS6000 (AIX)


Name: Liqun Deng
Department: Chemistry
Organisation: University of Calgary
E-Mail: ldeng@chem.ucalgary.ca
Comments: I'm going to try to use molden to visualize the optimization processes of ADF and GAUSSIAN. THANK YOU!
Computer System: IBM 3CT, AIX


Name: Dr. A.V Okotrub
Department: Laboratory of Physical Research Methods
Organisation: Institute of Inorganic Chemistry
E-Mail: antich@quantum.che.nsk.su
Comments: Planning to assist in presenting calculation results (mainly GAMESS package)
Computer System: Intel Pentium II PC running RedHat 5.0


Name: Darko Babic
Department: Department of Chemistry
Organisation: Institute Rudjer Boskovic
E-Mail: dbabic@rudjer.irb.hr
Comments: For analyzing the outputs of Mopac and Gaussian. Otherwise, right now I investigate the catalytic mechanism of molybdenum oxo-compounds. There are few smaller 'pro-jects' related to structure and property of fullerenes and some bulvalene cages.
Computer System: Linux 2.0.30


Name: N. Leroux
Department: Chimie
Organisation: Bordeaux 1
E-Mail: nleroux@aimco.fr
Comments: molden account
Computer System:


Name: J.W. van der Horst
Department: Physics
Organisation: TUE
E-Mail: J.W.v.d.Horst@phys.tue.nl
Comments: molden_account
Computer System:


Name: Y.V. Chizhov
Department: Physics
Organisation: St. Petersburg State University
E-Mail: chizhov@cyv.usr.pu.ru
Comments: molden_account
Computer System:


Name: Guy Lemiere
Department: Scheikunde
Organisation: Universiteit van Antwerpen (RUCA)
E-Mail: lemiere@ruca.ua.ac.be
Comments: molden_account
Computer System:


Name: Milan Hodoscek
Department: Center for Molecular Modeling
Organisation: National Institute of Chemistry
E-Mail: milan@kihp6.cmm.ki.si
Comments: Building coordinates for ab initio calculations, printing nice pictures from postscript driver, checking normal modes, el. dens., etc.
Computer System: LINUX, HPUX


Name: GEORGIOS KAPSOMENOS
Department: CHEMISTRY
Organisation: ARISTOTLE UNIVERSITY OF THESSALONIKI
E-Mail: kapsom@chem.auth.gr
Comments: Molden is used in cooperation with the molecular packages GAMESS, GAUSSIAN and MOPAC to obtain information about moldecular densities of various molecules.
Computer System: LINUX


Name: R.A. Mosquera
Department: Quimica Fisica e Quimica Organica
Organisation: Universidade de Vigo, Vigo
E-Mail: mosquera@uvigo.es
Comments: molden account
Computer System:


Name: E. Spohr
Department: Abteilung Theoretische Chemie
Organisation: Universitaet Ulm
E-Mail: eckhard.spohr@chemie.uni-ulm.de
Comments: molden account
Computer System:


Name: Szczepan Roszak
Department: Chemistry
Organisation: Jackson State University
E-Mail: roszak@tiger.jshms.edu
Comments: Gamess and Gaussian input and output files
Computer System: SG Iris-Indigo


Name: Szczepan Roszak
Department: Chemistry
Organisation: Wroclaw University of Technology
E-Mail: roszak@pkmk486.ch.pwr.wroc.pl
Comments: Gamess and Gaussian outputs visualization and data preparation
Computer System: Silicon Graphics Iris Indigo


Name: Kelly Sullivan Griffith
Department: Chemistry
Organisation: Creighton University
E-Mail: griffith@sampo.creighton.edu
Comments: I use gaussian94 to generate potential energy surfaces and calculate vibrational frequencies. Molden helps me visualize the normal modes and is especially helpful when I have an imaginary frequency and need to know how to distort the molecule to find the global minimum.
Computer System: Digital Alpha 433au running Digital Unix4.0


Name: O. V. Shishkin
Department: X-ray Structural Investigations Laboratory
Organisation: Institute for Single Crystals
E-Mail: shishkin@mail.isc.kharkov.com
Comments: molden account
Computer System:


Name: Bob LeSuer
Department: Chemistry
Organisation: University of Vermont
E-Mail: rlesuer@zoo.uvm.edu
Comments: Simply learning stuff
Computer System: Linux


Name: Gernot Katzer
Department: Institut fur Theoretische Chemie
Organisation: Karl-Franzens-Universitat Graz
E-Mail: gernot.katzer@kfunigraz.ac.at
Comments: I have found the tool useful to quickly visualize geometries and wavefunctions of my GAMESS-US job.
Computer System:


Name: Arellano Ricardo
Department: Complex Systems
Organisation: University National of Mexico
E-Mail: arellano@fenix.ifisicacu.unam.mx
Comments: molden account
Computer System:


Name: David Albarran A.
Department: Sistemas Complejos
Organisation: Universidad Nacional Autonoma de Mexico
E-Mail: davidj@fenix.ifisicacu.unam.mx
Comments: molden account
Computer System:


Name: Cole M K
Department: Biomedical Engineering
Organisation: Rose-Hulman Institute of Technology
E-Mail: colemk@nextwork.rose-hulman.edu
Comments: molden account
Computer System:


Name: P.A. Nieto
Department: Physical Chemistry (theoretical-computational)
Organisation: Universidad Central de Venezuela
E-Mail: pnieto@thor.ciens.ucv.ve
Comments: molden account
Computer System:


Name: Dhananjay Bhattacharyya
Department: Biophysics Division
Organisation: Saha Institute of Nuclear Physics
E-Mail: bhatta@biop.saha.ernet.in
Comments: Visualization and molecular modeling of nucleic acids and its interaction and reaction with other biomolecules. This is also used extensibly to monitor the results of semi-empirical calculations performed by MOPAC.
Computer System: Linux on PC


Name: Chatchai Tayapiwatana
Department: Clinical Immunology
Organisation: Chiang Mai University
E-Mail: asimi002@cmu.chiangmai.ac.th
Comments: molden account
Computer System:


Name: Graeme Day
Department:
Organisation: University of Missouri
E-Mail: graeme@venus.chem.missouri.edu
Comments:
Computer System:


Name: Oscar E. Taurian
Department: Physics and Chemistry
Organisation: Universidad Nacional de Rio Cuarto
E-Mail: otaurian@cdc.unrc.edu.ar
Comments: I am planning to use MOLDEN for graphical analysis of quantum chemistry calculations on organic molecules. I am currently using the Gaussian 94
Computer System: PC- Windows 95


Name: MOHIT AGARWAL
Department: CHEMISTRY
Organisation: INDIAN INSTITUTE OF TECHNOLOGY KANPUR
E-Mail: mohita@iitk.ac.in
Comments: molden_account
Computer System:


Name: Y.K. Levine
Department: Molecular Biophysics
Organisation: University of Utrecht
E-Mail: y.k.levine@phys.uu.nl
Comments: molden_account
Computer System:


Name: James Davey BA
Department: Chemistry
Organisation: University of Exeter
E-Mail: J.B.Davey@exeter.ac.uk
Comments: Making Zmatrix structures for use in Gaussian ab initio calculations. Taking images of structures for printing.
Computer System: SGI UNIX


Name: W.M.B. Bowe
Department: Computer Graphics
Organisation: Mercer County College
E-Mail: m-bowe@home.com
Comments: molden account
Computer System:


Name: R. Meza Gordillo
Department: Chemistry
Organisation: CINVESTAV-IPN
E-Mail: romeza@mail.cinvestav.mx
Comments: molden account
Computer System:


Name: O. Kugeler
Department: National High Magnet Field Lab
Organisation: Florida State University
E-Mail: kugeler@magnet.fsu.edu
Comments: molden account
Computer System:


Name: Guillaume van der Rest
Department: Laboratoire des Mecanismes Reactionnels
Organisation: Ecole Polytechnique
E-Mail: gvdr@dcmr.polytechnique.fr
Comments: Mainly used in the lab to analyze Gaussian output files, and also to edit Z matrixes. In some cases, we use molden in order to visualize moldecular orbital, electronic densities, etc... which can be quite useful for specific problems.
Computer System: AIX, HPUX, Linux


Name: Emil Proynov
Department: TheoreticalChemistry Lab.
Organisation: Facultes Univ. Notre Dame de la Paix
E-Mail: eproynov@scf.fundp.ac.be
Comments: Current main purpose: to visualize reaction pathways geometrically with the possibility to intervene and change by hand reaction configurations with molden in a way to get feed back about new coordinate input streams. Later on perhaps to visualize and plot orbital and total densities in real space.
Computer System: Unix IBM


Name: P.R. Pedro
Department: Chemistry
Organisation: UBI
E-Mail: p.rocha@mail.telepac.pt
Comments: molden account
Computer System:


Name: Mag.pharm. Klaus Leisser
Department: Drug Analysis
Organisation: University of Vienna
E-Mail: leisser@merian.pch.univie.ac.at
Comments: I am using MOLDEN for visualisation of GAMESS - output for my Ph.D. work in QSAR and Drug Design.
Computer System: Linux, Win 95/98


Name: F.F. Fuster
Department: Laboratoire de Chimie Theorique
Organisation: Universite Pierre et Marie Curie
E-Mail: fuster@lct.jussieu.fr
Comments: molden account
Computer System:


Name: Claudio M. Zicovich-Wilson
Department: Chemical Technology Institute
Organisation: University Polytechnic of Valencia-C.S.I.C.
E-Mail: zicovich@pleione.cc.upv.es
Comments: We'll use Molden to analyse results obtained from quantum chemical calculations regarding Host-Guest interactions in zeolite catalysis.
Computer System: Silicon Grafics


Name: N.G. Nuria Gallego-Planas
Department: Laboratoire IMMO
Organisation: Universite d'Angers
E-Mail: Nuria.Gallego@univ-angers.fr
Comments: molden account
Computer System:


Name: J. Steenwijk
Department: Organic Chemistry
Organisation: RUL
E-Mail: J.Steenw@chem.leidenuniv.nl
Comments: molden account
Computer System:


Name: S.A. Zoon
Department: Organische Scheikunde
Organisation: UVA
E-Mail: zoon@dds.nl
Comments: molden account
Computer System:


Name: Franck Auge
Department: Chimie therapeutique
Organisation: Faculte de pharmacie
E-Mail: franck.auge@univ-reims.fr
Comments:
Computer System: Octane / SE R10000 225 MHz


Name: Johan Landin
Department: Organic Chemistry
Organisation: Goteborg University
E-Mail: jol@che.chalmers.se
Comments: We use Molden to visualize input and output for Gaussian calculations. We really like Molden's way of showing the displacement vectors and frequencies. To be able to do AIM analysis in the future would also be of interest to us.
Computer System: IRIX


Name: Y.A. Drozdova
Department: Department of Chemistry
Organisation: Technische Univertsitat Berlin
E-Mail: yana@schwefel.chem.tu-berlin.de
Comments: molden_account
Computer System:


Name: T.L.M. Vorage
Department: Scheikunde
Organisation: Techn. Univers. Eindhoven
E-Mail: T.L.M.Vorage@stud.tue.nl
Comments: molden_account
Computer System:


Name: Dr. Istvan Cserny
Department: Electron Spectroscopy and Materials Science
Organisation: Institute of Nuclear Research, Hung. Acad. Sci.
E-Mail: cserny@atomki.hu
Comments: I would like to use Molden for the presentation of the results obtained by the GAMESS-US program. The distribution of electron density (and also the difference between atomic and molecular charge) is interesting for us. Thank you very much for providing MOLDEN!
Computer System: Red Hat Linux 5.2/Intel Pentium II