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Photoisomerization of Arylazopyrazole Photoswitches: Stereospecific Excited‐State Relaxation

Electronic structure calculations and nonadiabatic dynamics simulations (more than 2000 trajectories) are used to explore the Z–E photoisomerization mechanism and excited‐state decay dynamics of two arylazopyrazole photoswitches. Two chiral S(1)/S(0) conical intersections with associated enantiomeri...

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Detalles Bibliográficos
Autores principales:	Wang, Ya‐Ting, Liu, Xiang‐Yang, Cui, Ganglong, Fang, Wei‐Hai, Thiel, Walter
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5113807/ https://www.ncbi.nlm.nih.gov/pubmed/27709760 http://dx.doi.org/10.1002/anie.201607373

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