Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol-Reference-Cited by-同舟云学术

Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol

Published:2011-11-03 Issue:47 Volume:115 Page:13975-13985
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Koné Mawa¹,Illien Bertrand²,Laurence Christian³,Graton Jérôme³

Affiliation:

1. Laboratory of Structural Organic Chemistry, University of Abidjan Cocody, 22 BP 582 Abidjan 22, Ivory Coast

2. Laboratoire de Chimie des Substances Naturelles et des Sciences des Aliments Faculté des Sciences et Technologies, Université de La Réunion, 15 avenue René Cassin, 97715 Saint Denis Cedex 9 BP 7115, France

3. Laboratoire CEISAM, UMR 6230 CNRS, Faculté des Sciences et des Techniques, Université de Nantes, 2, rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp209200w

Reference54 articles.

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3. Hydrogen bonding. Part 9. Solute proton donor and proton acceptor scales for use in drug design

4. The pKBHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists

5. Toward a solvent basicity scale: the calorimetry of the pyrrole probe

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