A Química Quântica na compreensão de teorias de Química Orgânica

• Autor(es): Leal,Régis Casimiro ; Moita Neto,José Machado ; Lima,Francisco das Chagas Alves ; Feitosa,Chistiane Mendes
• Data: 2010
• Origem: Oasisbr
• Assunto(s): organic chemistry; teaching chemistry; quantum chemistry
• Tipo de Documento: Artigo científico
• Idioma: Português

Descrição

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.