Energy decomposition analysis in an adiabatic picture.

Mao, Yuezhi; Horn, Paul R; Head-Gordon, Martin.

Mao Y; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720, USA. mhg@cchem.berkeley.edu.
Horn PR; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720, USA. mhg@cchem.berkeley.edu.
Head-Gordon M; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, CA 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

Phys Chem Chem Phys ; 19(8): 5944-5958, 2017 Feb 22.

Article en En | MEDLINE | ID: mdl-28176997

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2017 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2017 Tipo del documento: Article