Estudio computacional B3LYP de la interacción del hidrógeno molecular [H2] con rccc R-Pyg[4]arenos [R = metil, flúor] funcionalizados con Li
The interaction of molecular hydrogen [H2] with methyl- and fluoride-substituted rccc pirogallol[4]arenes functionalized with Li+ cations [Li-R-Pyg[4]Ar] was theoretically studied by means of DFT quantum-mechanical calculations at the B3LYP/6-311G(d,p) level of theory. In a first stage of the study,...
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| Publié dans: | Avances en Ciencias e Ingenierías |
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| Auteurs principaux: | , , |
| Format: | Artigo |
| Langue: | Espanhol |
| Publié: |
Universidad San Francisco de Quito
2011
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| Sujets: | |
| Accès en ligne: | https://www.redalyc.org/articulo.oa?id=726180825005 |
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