Saturday, September 26, 2009

A miniature guy: Reaction Path

This is a reaction path obtained from my research:



As we know, reaction path is the most compact form of the potential energy surfcae (PES), and thus the name 'Minimum Energy Path' (MEP).

In my PhD project, I tried to generate a 15 dimensional PES. I dont want to tell the whole story about it but a lesson: ITS NOT EASY...after this project, I really felt - what is a chemical dimensionality.