Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale

Previous time‐resolved spectroscopic experiments and static quantum‐chemical calculations attributed nitronaphthalene derivatives one of the fastest time scales for intersystem crossing within organic molecules, reaching the 100 fs mark. Nonadiabatic dynamics simulations on three nitronaphthalene de...

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Detalles Bibliográficos
Autores principales: Zobel, J. Patrick, González, Leticia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6813632/
https://www.ncbi.nlm.nih.gov/pubmed/31681833
http://dx.doi.org/10.1002/cptc.201900108

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6813632/
https://www.ncbi.nlm.nih.gov/pubmed/31681833
http://dx.doi.org/10.1002/cptc.201900108

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