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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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| Publicado no: | ChemPhotoChem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6813632/ https://ncbi.nlm.nih.gov/pubmed/31681833 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cptc.201900108 |
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