Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment-Reference-Cited by-同舟云学术

Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment

Published:2019-01-31 Issue:11 Volume:40 Page:1209-1218
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Réal Florent¹^ORCID,Vallet Valérie¹^ORCID,Masella Michel²^ORCID

Affiliation:

1. CNRS, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molécules; Université de Lille; F-59000 Lille France

2. Laboratoire de Biologie Structurale et Radiobiologie, Service de Bioénergétique; Biologie Structurale et Mécanismes, Institut Joliot; CEA Saclay, F-91191 Gif sur Yvette Cedex France

Funder

Agence Nationale de la Recherche

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25779/fullpdf

Reference46 articles.

1. Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions

2. The missing term in effective pair potentials

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