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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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Pubblicato in:Angew Chem Int Ed Engl
Autori principali: Wang, Ya‐Ting, Liu, Xiang‐Yang, Cui, Ganglong, Fang, Wei‐Hai, Thiel, Walter
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2016
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Accesso online: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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