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Adduct under Field—A Qualitative Approach to Account for Solvent Effect on Hydrogen Bonding
The location of a mobile proton in acid-base complexes in aprotic solvents can be predicted using a simplified Adduct under Field (AuF) approach, where solute–solvent effects on the geometry of hydrogen bond are simulated using a fictitious external electric field. The parameters of the field have b...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7037398/ https://www.ncbi.nlm.nih.gov/pubmed/31973045 http://dx.doi.org/10.3390/molecules25030436 |