Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field.

Gonçalves, Yan M H; Senac, Caroline; Fuchs, Patrick F J; Hünenberger, Philippe H; Horta, Bruno A C

Gonçalves, Yan M H; Senac, Caroline; Fuchs, Patrick F J; Hünenberger, Philippe H; Horta, Bruno A C.

Gonçalves YMH; Instituto de Química , Universidade Federal do Rio de Janeiro , Rio de Janeiro 21941-909 , Brazil.
Senac C; Sorbonne Université, CNRS, INSERM, Laboratoire d'Imagerie Biomédicale (LIB), F-75006 Paris , France.
Fuchs PFJ; Sorbonne Université, École normale supérieure, PSL University, CNRS, Laboratoire des biomolécules, LBM, 75005 Paris , France.
Hünenberger PH; Université Paris Diderot, 75013 Paris , France.
Horta BAC; Laboratory of Physical Chemistry , ETH Zürich , CH-8093 Zürich , Switzerland.

J Chem Theory Comput ; 15(3): 1806-1826, 2019 Mar 12.

Article en En | MEDLINE | ID: mdl-30657687

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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2019 Tipo del documento: Article

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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2019 Tipo del documento: Article