Esterioquimica
Mostrando 1-1 de 1 artigos, teses e dissertações.
-
1. Utilização de orbitais moleculares localizados no previsão de tensores polares atomicos
The similarities between the eletronic structure of the C-F bonds, in different molecules, were investigated makin use of the coeficients of the localized molecular orbitais (LMO) corresponding to this bond. The molecular orbital calculations were performed using the CNDO method and localization of the orbitals was based on the method of Edmiston and Ruedenb
Publicado em: 1987