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Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The pi pi*/n pi* Decay of Thymine in Water as a Test Case

Release time:2022-05-24|Hits:

Affiliation of Author(s):晶体材料研究院

Journal:Journal of chemical theory and computation

First Author:Cerezo, Javier

Document Code:5B64C6C0ED74479EA8F0C64AF6137A3C

Volume:14

Issue:2

Page Number:820

Number of Words:30

Translation or Not:no

Date of Publication:2018-02-01

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Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the pi pi/n pi* decay of

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