Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene

Published 2015 View Full Article

Authors

Keywords

Ab initio, molecular dynamics, Nonadiabatic transition, Photochromic molecule, Excited states dynamics, Zhu–Nakamura version trajectory surface hopping

Journal

CHEMICAL PHYSICS

Volume 459, Issue -, Pages 45-53

Publisher

Elsevier BV

Online

2015-07-30

DOI

10.1016/j.chemphys.2015.07.024

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