Thursday, October 3, 2013

Computational Chemistry Course - Exploring a PES

I made this video to illustrate the basic ideas behind the generation of a reaction profile. I show how to "explore" the potential energy surface for a basic Diels-Alder reaction.

The small animations were produced visualizing with Molden actual calculation done with Gaussian at HF/sto-3g level and screencasted with ScrenFlow. The entire video is another ScreenFlow capture of a PowerPoint presentation with my voice over.

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