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 fi...
Main Authors: | , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2020-01-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/25/3/436 |