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Substituent effects in hydrogen bonding: DFT and QTAIM studies on acids and carboxylates complexes with formamide
Four series of hydrogen bonded complexes of formamide and substituted benzoic acids and benzoates were studied in the light of substituent effect on intermolecular interactions. The analysis based on energy of interaction, geometry, QTAIM-derived properties of hydrogen bond critical point and energy...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer Berlin Heidelberg
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4139586/ https://www.ncbi.nlm.nih.gov/pubmed/25024009 http://dx.doi.org/10.1007/s00894-014-2356-8 |