Charge distributions for molecular dynamics simulations from self-consistent polarization method.

Stachowicz-Kusnierz, Anna; Korchowiec, Beata; Korchowiec, Jacek.

Afiliação

Stachowicz-Kusnierz A; Faculty of Chemistry, Jagiellonian University, Krakow, Poland.
Korchowiec B; Faculty of Chemistry, Jagiellonian University, Krakow, Poland.
Korchowiec J; Faculty of Chemistry, Jagiellonian University, Krakow, Poland.

J Comput Chem ; 41(30): 2591-2597, 2020 Nov 15.

Article em En | MEDLINE | ID: mdl-32905633

Palavras-chave

charge distributions; molecular dynamics simulations; polarization approximation; self-consistent polarization method; water models

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article