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Ab initio study of the ground and excited electronic states of the methyl radical

The ground and some excited electronic states of the methyl radical have been characterized by means of highly correlated ab intio techniques. The specific excited states investigated are those involved in the dissociation of the radical, namely the 3s and 3p(z) Rydberg states, and the A(1) and B(1)...

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Detalhes bibliográficos
Publicado no:Phys Chem Chem Phys
Main Authors: Zanchet, A., Bañares, L., Senent, M. L., García-Vela, A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5217175/
https://ncbi.nlm.nih.gov/pubmed/27892569
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6cp05960k
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