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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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Detalles Bibliográficos
Autores principales:	Richter, Martin, Mai, Sebastian, Marquetand, Philipp, González, Leticia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2014
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4391640/ https://www.ncbi.nlm.nih.gov/pubmed/25301389 http://dx.doi.org/10.1039/c4cp04158e

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