Temperature and pressure dependence of the optimized soft-sticky dipole-quadrupole-octupole water model

Journal of Chemical Physics

Volumn 132, Issue 11, 2010, Pages

  Te, Jerez A ^a   Ichiye, Toshiko ^a  

^a GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT CONDITIONS; COARSE-GRAINED; DIPOLE-QUADRUPOLE; EXPERIMENTAL VALUES; HYDROGEN BONDED NETWORK; LENNARD-JONES INTERACTION; LENNARD-JONES PARAMETERS; LIQUID WATER; MULTIPOLE EXPANSIONS; MULTIPOLE MOMENTS; PARAMETRIZATIONS; PRESSURE DEPENDENCE; QUADRUPOLES; TEMPERATURE OF MAXIMUM DENSITIES; WATER MODELS; WATER MOLECULE;

DIELECTRIC PROPERTIES;

WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; PRESSURE; TEMPERATURE; THERMODYNAMICS;

MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PRESSURE; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 77949752704     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3359432     Document Type: Article

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