Spatial Localization Of Molecular Orbitals
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1. Estrutura eletrÃnica e propriedades espectroscÃpicas de compÃsitos polianilina/ouro: uma investigaÃÃo ab initio
In this dissertation we use ab initio quantum chemistry theoretical methods to examine possible effects that the presence of a small number of attached gold atoms could have upon the spectra of polyaniline (PANI) oligomers. We have investigated in special the theoretical fluorescence spectra of the gold-polyaniline composites, by using the Hartree-Fock appro
Publicado em: 2009