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A Multireference Configuration Interaction Study of the Photodynamics of Nitroethylene

[Image: see text] Extended multireference configuration interaction with singles and doubles (MR-CISD) calculations of nitroethylene (H(2)C=CHNO(2)) were carried out to investigate the photodynamical deactivation paths to the ground state. The ground (S(0)) and the first five valence excited electro...

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Detalles Bibliográficos
Autores principales: Borges, Itamar, Aquino, Adélia J. A., Lischka, Hans
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4279882/
https://www.ncbi.nlm.nih.gov/pubmed/25158277
http://dx.doi.org/10.1021/jp507396e