A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies.

Veccham, Srimukh Prasad; Lee, Joonho; Mao, Yuezhi; Horn, Paul R; Head-Gordon, Martin

Veccham, Srimukh Prasad; Lee, Joonho; Mao, Yuezhi; Horn, Paul R; Head-Gordon, Martin.

Afiliación

Veccham SP; Department of Chemistry, University of California, Berkeley, California 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Lee J; Department of Chemistry, University of California, Berkeley, California 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA and Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027,
Mao Y; Department of Chemistry, University of California, Berkeley, California 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Horn PR; Department of Chemistry, University of California, Berkeley, California 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Head-Gordon M; Department of Chemistry, University of California, Berkeley, California 94720, USA. mhg@cchem.berkeley.edu and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.

Phys Chem Chem Phys ; 23(2): 928-943, 2021 Jan 21.

Article en En | MEDLINE | ID: mdl-33355325

Asunto(s)

Aminas/química; Amoníaco/química; Boranos/química; Complejos de Coordinación/química; ADN/química; Emparejamiento Base; Teoría Funcional de la Densidad; Enlace de Hidrógeno; Metales Pesados/química; Modelos Químicos; Electricidad Estática; Elementos de Transición/química

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Boranos / ADN / Complejos de Coordinación / Aminas / Amoníaco Idioma: En Revista: Phys Chem Chem Phys Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos

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