Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4′-nitrostilbene Upon S(1) Excitation Revealed by Conical Intersection and Intersystem Crossing Networks

Multi-state n-electron valence state second order perturbation theory (MS-NEVPT2) was utilized to reveal the photorelaxation pathways of 4-(N,N-dimethylamino)-4′-nitrostilbene (DANS) upon S(1) excitation. Within the interwoven networks of five S(1)/S(0) and three T(2)/T(1) conical intersections (CIs...

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Detalles Bibliográficos
Autores principales: He, Ziyue, Xue, Ruidi, Lei, Yibo, Yu, Le, Zhu, Chaoyuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7248955/
https://www.ncbi.nlm.nih.gov/pubmed/32397393
http://dx.doi.org/10.3390/molecules25092230

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7248955/
https://www.ncbi.nlm.nih.gov/pubmed/32397393
http://dx.doi.org/10.3390/molecules25092230

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