B3LYP and MP2 Calculations of the Enthalpies of Hydrogen-Bonded Complexes of Methanol with Neutral Bases and Anions: Comparison with Experimental Data-Reference-Cited by-同舟云学术

B3LYP and MP2 Calculations of the Enthalpies of Hydrogen-Bonded Complexes of Methanol with Neutral Bases and Anions: Comparison with Experimental Data

Published:2005-11-24 Issue:51 Volume:109 Page:11907-11913
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Koné, Mawa¹,Illien Bertrand¹,Graton Jérôme¹,Laurence Christian¹

Affiliation:

1. Laboratoire de Spectrochimie et Modélisation, EA 1149, FR CNRS 2465, Université de Nantes, 2 rue de la Houssinière, BP 92208, F-44322 Nantes Cedex 3, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp054173s

Reference92 articles.

1. Joesten, M. D.; Schaad, L. J.Hydrogen Bonding; Dekker: New York, 1974.

2. Vinogradov, S. N.; Linnell, R. H.Hydrogen Bonding; Van Nostrand: New York, 1971.

3. An ab initio study resulting in a greater understanding of the HSAB principle

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