EXTENDED HÜCKEL ORBITAL FORCES
The forces acting on individual atoms in a molecule, arising from the distorting effect on the molecular framework of the electrons in the different populated molecular orbitals, are calculated within a simple Extended Hückel formalism. The method, which is strongly dependent on the properties of ov...
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| Auteurs principaux: | , , |
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| Langue: | English |
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Sociedad Chilena de Química
2003
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| Accès en ligne: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072003000400017 |
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