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Molecular Physics

Volumn 113, Issue 9-10, 2015, Pages 1145-1163

Water: One molecule, two surfaces, one mistake

(1) Vega, Carlos a

a UNIVERSIDAD COMPLUTENSE DE MADRID (Spain)

Author keywords

computer simulation; dielectric constant; electric field; force fields; potential energy surface; water

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; DIPOLE MOMENT; ELECTRIC FIELDS; MOLECULES; PERMITTIVITY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; WATER;

AB INITIO CALCULATIONS; CHEMISTRY COMMUNITY; DINGER EQUATION; DIPOLE MOMENT SURFACES; EMPIRICAL POTENTIALS; FITTING PARAMETERS; FORCE FIELDS; PARTIAL CHARGES;

POTENTIAL ENERGY;

EID: 84929962481 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2015.1005191 Document Type: Article

Times cited : (63)

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