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Use of QM/MM Surface Hopping Simulations to Understand Thermally Activated Rare-Event Nonadiabatic Transitions in the

Alec J Coffman1, Zuxin Jin1, Junhan Chen1

  • 1Department of Chemistry, University of Pennsylvania, 231 S. 34 Street, Cret Wing 141D, Philadelphia, Pennsylvania 19104-6243, United States.

Journal of Chemical Theory and Computation
|October 9, 2023
PubMed

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