A teoria de pearson para a disciplina de química orgânica: um exercício prático e teórico aplicado em sala de aula
We report a didactic experience in teaching Pearson's theory (HSAB) to graduate students in organic chemistry. This approach was based on teaching students how to use computer programs to calculate frontier orbitals (HOMO-LUMO). The suggested level of calculation was a semi-empiric PM3, proving...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
2014-01-01
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| Series: | Química Nova |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000100029&lng=en&tlng=en |