Analytical PESs that can be used to perform nonadiabatic reaction dynamics of thiophenol.

What is it about?

Analytical full-dimensional three-state potential energy surfaces for thiophenol

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Why is it important?

Nonadiabatic dynamics is hard to perform without analytical potential energy surfaces and state couplings as the direct dynamics is quite expensive. With this analytical PES on hand, one can run thousands of nonadiabatic trajectories easily and study the detail photodissociation dynamics of thiophenol.