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...

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Detalles Bibliográficos
Autores principales: Shenderovich, Ilya G., Denisov, Gleb S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7037398/
https://www.ncbi.nlm.nih.gov/pubmed/31973045
http://dx.doi.org/10.3390/molecules25030436

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