A Química Quântica na compreensão de teorias de Química Orgânica
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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| Main Authors: | , , , |
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| Format: | Digital revista |
| Language: | Portuguese |
| Published: |
Sociedade Brasileira de Química
2010
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422010000500037 |
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