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Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State.
J Am Chem Soc. 2022 Dec 7;144(48):21878-21886. doi: 10.1021/jacs.2c06296. Epub 2022 Nov 29.
J Am Chem Soc. 2022.
PMID: 36444673
Free PMC article.
Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation.
Gelin MF, Huang X, Xie W, Chen L, Došlić NA, Domcke W.
Gelin MF, et al. Among authors: doslic na.
J Chem Theory Comput. 2021 Apr 13;17(4):2394-2408. doi: 10.1021/acs.jctc.1c00109. Epub 2021 Mar 23.
J Chem Theory Comput. 2021.
PMID: 33755464
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