Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system.

Nozawa, Takuma; Takahashi, Kazuaki Z; Narumi, Tetsu; Yasuoka, Kenji

Nozawa, Takuma; Takahashi, Kazuaki Z; Narumi, Tetsu; Yasuoka, Kenji.

Afiliação

Nozawa T; Department of Mechanical Engineering, Keio University, Yokohama, 223-8522, Japan.
Takahashi KZ; Department of Mechanical Engineering, Keio University, Yokohama, 223-8522, Japan.
Narumi T; Research Institute for Sustainable Chemistry, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, 305-8568, Japan.
Yasuoka K; Department of Computer Science, University of Electro-Communications, Tokyo, 182-8585, Japan.

J Comput Chem ; 36(32): 2406-11, 2015 Dec 15.

Article em En | MEDLINE | ID: mdl-26525311

Palavras-chave

isotropic periodic sum; liquid crystal; long-range interaction; molecular dynamics simulation; periodic reaction field

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Japão

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