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Volumn 115, Issue 23, 2001, Pages 10758-10768

Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions

(2) Mahoney, Michael W a Jorgensen, William L a

a Yale University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; HAMILTONIANS; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; QUANTUM THEORY; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

ELECTRONIC POLARIZATION; INTRAMOLECULAR FLEXIBILITY; PATH INTEGRAL CALCULATIONS; POLARIZABILITY EFFECTS; QUANTUM MECHANICAL EFFECTS;

WATER;

EID: 0035894472 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1418243 Document Type: Article

Times cited : (113)

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