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Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

A comprehensive effort in photodynamical ab initio simulations of the ultrafast deactivation pathways for all five nucleobases adenine, guanine, cytosine, thymine, and uracil is reported. These simulations are based on a complete nonadiabatic surface-hopping approach using extended multiconfiguratio...

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Detalhes bibliográficos
Main Authors: Barbatti, Mario, Aquino, Adélia J. A., Szymczak, Jaroslaw J., Nachtigallová, Dana, Hobza, Pavel, Lischka, Hans
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3003128/
https://ncbi.nlm.nih.gov/pubmed/21115845
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1014982107
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