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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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Bibliografski detalji
Izdano u:Angew Chem Int Ed Engl
Glavni autori: Wang, Ya‐Ting, Liu, Xiang‐Yang, Cui, Ganglong, Fang, Wei‐Hai, Thiel, Walter
Format: Artigo
Jezik:Inglês
Izdano: John Wiley and Sons Inc. 2016
Teme:
Online pristup: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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