Polarization behavior of water in extreme aqueous environments: A molecular dynamics study based on the Gaussian charge polarizable water model

Journal of Chemical Physics

Volumn 133, Issue 7, 2010, Pages

  Chialvo, Ariel A ^a   Horita, Juske ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS ENVIRONMENT; AVERAGE SYSTEM; BOND ORDERS; GAUSSIANS; HYDROGEN BONDED NETWORK; HYDROGEN BONDINGS; INDUCED DIPOLE MOMENTS; INDUCED DIPOLES; ISOBARIC-ISOTHERMAL; LINEAR DEPENDENCE; MICROSTRUCTURAL ANALYSIS; MICROSTRUCTURAL TRANSFORMATIONS; MOLECULAR DYNAMICS SIMULATIONS; NEAREST-NEIGHBORS; NORMAL CONDITION; ORDER PARAMETER; ORIENTATIONAL ORDER PARAMETERS; POLARIZABLE WATER MODELS; POLARIZATION BEHAVIOR; PRESSURE RANGES; RADIAL DISTRIBUTION FUNCTIONS; STATE-DEPENDENT; SUPERCRITICAL ISOTHERM;

COMPUTER SIMULATION; DIPOLE MOMENT; DISTRIBUTION FUNCTIONS; ELECTRIC DIPOLE MOMENTS; HYDROGEN; HYDROGEN BONDS; ISOTHERMS; POLARIZATION;

MOLECULAR DYNAMICS;

EID: 77956087778     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3469769     Document Type: Article

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