The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.

Lefebvre, Corentin; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Piquemal, Jean-Philip; Hénon, Eric

Lefebvre, Corentin; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Piquemal, Jean-Philip; Hénon, Eric.

Afiliação

Lefebvre C; Institut de Chimie Moléculaire de Reims UMR CNRS 7312, University of Reims Champagne-Ardenne, Moulin de la Housse, 51687, Reims Cedex 2 BP 39, France.
Khartabil H; Institut de Chimie Moléculaire de Reims UMR CNRS 7312, University of Reims Champagne-Ardenne, Moulin de la Housse, 51687, Reims Cedex 2 BP 39, France.
Boisson JC; Campus Universitaire des Ardennes, University of Reims Champagne-Ardenne, 4 Bd Jean Delautre, 08000, Charleville-Mézières, France.
Contreras-García J; CReSTIC EA 3804, University of Reims Champagne-Ardenne, Moulin de la Housse, 51687, Reims Cedex 2 BP 39, France.
Piquemal JP; Sorbonne Universités, UPMC, Laboratoire de Chimie Théorique and CNRS UMR CNRS 7616, 4 Pl Jussieu, 75252, Paris Cedex 05, France.
Hénon E; Sorbonne Universités, UPMC, Laboratoire de Chimie Théorique and CNRS UMR CNRS 7616, 4 Pl Jussieu, 75252, Paris Cedex 05, France.

Chemphyschem ; 19(6): 724-735, 2018 Mar 19.

Article em En | MEDLINE | ID: mdl-29250908

Palavras-chave

electron density; independent gradient model; interactions; noncovalent interactions; quantum chemistry

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Chemphyschem Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: França

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google