Serviços Personalizados
Journal
Artigo
Indicadores
- Citado por SciELO
Links relacionados
- Similares em SciELO
Compartilhar
Revista de la Sociedad Química del Perú
versão impressa ISSN 1810-634X
Resumo
CALVO, Luis G e PUMACHAGUA, Rodolfo. Theoretical evaluation of new derivatives of the tetrahedrane nitratoxycarbon. Rev. Soc. Quím. Perú [online]. 2015, vol.81, n.1, pp.14-23. ISSN 1810-634X.
We calculated the properties of nitratoxycarbon tetrahedrane derivatives using the methods: Hartree-Fock and density functional theory. We assessed structure, the electronic properties and energy profile to show Mulliken population analysis that the increase of nitratoxycarbon groups reduce the burdens of the oxygen’s of the group substituent.
Palavras-chave : Nitratoxycarbon; tetrahedrane; platonic hydrocarbon; B3LYP.