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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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Detalhes bibliográficos
Publicado no:Angew Chem Int Ed Engl
Main Authors: Wang, Ya‐Ting, Liu, Xiang‐Yang, Cui, Ganglong, Fang, Wei‐Hai, Thiel, Walter
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5113807/
https://ncbi.nlm.nih.gov/pubmed/27709760
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.201607373
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