Chapter 2, How to locate a Transition State

This chapter consists of four parts:

In the first chapter we have seen that there exist algorithms to refine a transition state, provided we start with a geometry that is rather close.
To arrive at such a 'good guess' we have our chemical intuition, and a number of tools in MOPAC. Once a geometry is characterized as a TS, it can be transferred to Gamess for more advanced calculations.
This is the second chapter: How to locate a Transition State
Previous chapter: Types of coordinates, z-matrices, input files
Next chapter: More theory
Back to Main Contents page.