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Substituent and Solvent Effects on the Electronic and Structural Properties of Silacyclopropylidenoids

The isomeric structures, energies, and properties of the substituted silacyclopropylidenoids, SiC2H3RLiBr (R = -H, -CH3, -SiH3, -CN, -OH, -NH2), were studied by ab initio calculations at the MP2/6-311+G(d,p) level of theory. The calculations indicate that each of SiC2H3RLiBrs has three stationary st...

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Detalles Bibliográficos
Publicado en:Journal of the Mexican Chemical Society
Main Authors: Cem Burak Yildiz, Akin Azizoglu
Formato: Artigo
Idioma:Inglês
Publicado: Sociedad Química de México 2015
Assuntos:
MP2
Acceso en liña:https://www.redalyc.org/articulo.oa?id=47539242005
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