Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations.

Doherty, Brian; Zhong, Xiang; Gathiaka, Symon; Li, Bin; Acevedo, Orlando

Doherty, Brian; Zhong, Xiang; Gathiaka, Symon; Li, Bin; Acevedo, Orlando.

Afiliación

Doherty B; Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.
Zhong X; Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.
Gathiaka S; Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.
Li B; Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.
Acevedo O; Department of Chemistry, University of Miami , Coral Gables, Florida 33146, United States.

J Chem Theory Comput ; 13(12): 6131-6145, 2017 Dec 12.

Article en En | MEDLINE | ID: mdl-29112809

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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