Compensation Effects in Molecular Interactions and the Quantum Chemical le Chatelier Principle-Reference-Cited by-同舟云学术

Compensation Effects in Molecular Interactions and the Quantum Chemical le Chatelier Principle

Published:2015-03-04 Issue:21 Volume:119 Page:5305-5312
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mezey Paul G.¹

Affiliation:

1. Department of Chemistry and Department of Physics and Physical Oceanography, Memorial University of Newfoundland, 283 Prince Philip Drive, St. John’s, NL A1B 3X7, Canada

Funder

Canada Research Chairs

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5100044

Reference42 articles.

1. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

2. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

3. On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation

4. Ab initio study of ionic solutions by a polarizable continuum dielectric model

5. Geometry optimization of molecular structures in solution by the polarizable continuum model

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