Produção Nacional
Revisado por pares
A Química Quântica na compreensão de teorias de Química Orgânica
2010; Brazilian Chemical Society; Volume: 33; Issue: 5 Linguagem: Inglês
10.1590/s0100-40422010000500037
ISSN1678-7064
AutoresRégis Casimiro Leal, José Machado Moita Neto, Francisco das Chagas Alves Lima, Chistiane Mendes Feitosa,
Tópico(s)Chemistry Education and Research
ResumoTHEORIES OF ORGANIC CHEMISTRY.Quantum chemical calculations were performed in order to obtain molecular properties such as electronic density, dipole moment, atomic charges, and bond lengths, which were compared to qualitative results based on the theories of the organic chemistry.The quantum chemistry computational can be a useful tool to support the main theories of the organic chemistry.
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