Quantum mechanical force field for water with explicit electronic polarization

Journal of Chemical Physics

Volumn 139, Issue 5, 2013, Pages

  Han, Jaebeom ^a   Mazack, Michael J M ^a   Zhang, Peng ^a   Truhlar, Donald G ^a   Gao, Jiali ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL ION CHANNELS; ELECTRONIC POLARIZATION; ELECTROSTATIC POTENTIALS; INTERMOLECULAR INTERACTIONS; INTRAMOLECULAR AND INTERMOLECULAR INTERACTIONS; MOLECULAR DIPOLE MOMENT; QUANTUM MECHANICAL FORCE; QUANTUM MECHANICAL FORMALISM;

ELECTRON TRANSITIONS; LIQUIDS; MECHANICAL ENGINEERING; MOLECULAR MECHANICS; MOLECULAR ORBITALS; MOLECULAR OXYGEN; POLARIZATION; POTENTIAL ENERGY FUNCTIONS; QUANTUM THEORY;

HAMILTONIANS;

WATER;

CHEMISTRY; ELECTRON; QUANTUM THEORY; ARTICLE;

ELECTRONS; QUANTUM THEORY; WATER;

EID: 84882236723     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4816280     Document Type: Article

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