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Non-adiabatic dynamics close to conical intersections and the surface hopping perspective

Conical intersections play a major role in the current understanding of electronic de-excitation in polyatomic molecules, and thus in the description of photochemistry and photophysics of molecular systems. This article reviews aspects of the basic theory underlying the description of non-adiabatic...

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Detalhes bibliográficos
Publicado no:Front Chem
Main Authors: Malhado, João Pedro, Bearpark, Michael J., Hynes, James T.
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4240175/
https://ncbi.nlm.nih.gov/pubmed/25485263
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2014.00097
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