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.

Computational Chemistry Course - Optimization Techniques part 3

Another video I made for the Computational Chemistry course. This is the third in the series relative to the Optimization techniques module. It is a simple presentation captured with ScreenFlow and my voice over. The water vibrational modes were computed with MolCalc, screencasted and inserted into the presentation.

Computational Chemistry Course - Optimization techniques introduction part 2

This is a video I made for the Computational Chemistry course. It is relative to the Optimization techniques module. It is a simple presentation captured with ScreenFlow and my voice over.

Computational Chemistry Course - Optimization techniques introduction part 1

This is a video I made for the Computational Chemistry course. It is relative to the Optimization techniques module. It is a simple presentation captured with ScreenFlow and my voice over.

Computational Chemistry Course - Basis Sets introduction part 1

This is a video I made for the Computational Chemistry course. It is relative to the Basis Set module. It is a simple presentation captured with ScreenFlow and my voice over.