Relação entre transferência de carga e as interações intermoleculares em complexos de hidrogênio heterocíclicos Relationship between charge transfer and intermolecular interactions in heterocyclic hydrogen-bonded complexes
<abstract language="eng">Hydrogen-bonded complexes formed by the interaction of the heterocyclic molecules C2H4O and C2H5N with HF, HCN, HNC and C2H2 have been studied using density functional theory. The hydrogen bond strength has been analyzed through electron density charge transf...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2007-08-01
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| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000400007 |