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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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| Publicat a: | J Phys Chem A |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2014
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4279882/ https://ncbi.nlm.nih.gov/pubmed/25158277 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp507396e |
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