Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics

[Image: see text] The photochemistry of benzophenone, a paradigmatic organic molecule for photosensitization, was investigated by means of surface-hopping ab initio molecular dynamics. Different mechanisms were found to be relevant within the first 600 fs after excitation; the long-debated direct (S...

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Detalles Bibliográficos
Autores principales: Marazzi, Marco, Mai, Sebastian, Roca-Sanjuán, Daniel, Delcey, Mickaël G., Lindh, Roland, González, Leticia, Monari, Antonio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4761974/
https://www.ncbi.nlm.nih.gov/pubmed/26821061
http://dx.doi.org/10.1021/acs.jpclett.5b02792

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4761974/
https://www.ncbi.nlm.nih.gov/pubmed/26821061
http://dx.doi.org/10.1021/acs.jpclett.5b02792

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