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Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics
Ab initio molecular dynamics simulations have been performed in order to investigate the relaxation dynamics of uracil after UV excitation in gas phase. Intersystem crossing (ISC) has been included for the first time into time-dependent simulations of uracil, allowing the system to relax in the sing...
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| Publicado no: | Phys Chem Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4391640/ https://ncbi.nlm.nih.gov/pubmed/25301389 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4cp04158e |
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