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Avogadro with Gaussian Tutorial: Guess the TS

12.5K views
Jun 15, 2013
7:43

1st way to find s good guess of a TS for a reaction. I added some correction bubbles in the video because my terms were not clear: I show here how to find a potential TS structure, not the actual saddle point. After this step, you will need to do another calculation, this time using opt=TS to find out the actual transition state for your reaction. Related videos: https://www.youtube.com/watch?v=7Jcu51bDJHY https://www.youtube.com/watch?v=mZZ6ebi8UxI

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Avogadro with Gaussian Tutorial: Guess the TS | NatokHD