Artigo Acesso aberto 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

ISSN

1678-7064

Autores

Régis Casimiro Leal, José Machado Moita Neto, Francisco das Chagas Alves Lima, Chistiane Mendes Feitosa,

Tópico(s)

Chemistry Education and Research

Resumo

THEORIES 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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