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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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Detalhes bibliográficos
Publicado no:Phys Chem Chem Phys
Main Authors: Richter, Martin, Mai, Sebastian, Marquetand, Philipp, González, Leticia
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2014
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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