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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 19(21), p. 10086-10094, 2019

DOI: 10.1039/c9cp00692c

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Photochemical mechanism of 1,5-benzodiazepin-2-one: electronic structure calculations and nonadiabatic surface-hopping dynamics simulations

Journal article published in 2019 by Shu-Hua Xia ORCID, Meng Che, Yan Liu, Yan Zhang, Ganglong Cui ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The photochemical mechanism of 1,5-benzodiazepin-2-one is studied by combined static electronic structure calculations and nonadiabatic surface-hopping dynamics simulations.