Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice

Journal of Physical Chemistry A

Volumn 115, Issue 23, 2011, Pages 6046-6053

  Murdachaew, Garold ^a   Mundy, Christopher J ^a   Schenter, Gregory K ^a   Laino, Teodoro ^b,c   Hutter, Jürg ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF ZURICH   (Switzerland)

^c IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BULK PHASIS; BULK WATER; CUBIC ICE; ENTHALPY OF VAPORIZATION; EXPERIMENTAL MEASUREMENTS; LIQUID WATER; LIQUID-VAPOR INTERFACE; MOLECULAR DIPOLE MOMENT; RADIAL DISTRIBUTION FUNCTIONS; SELF-DIFFUSION COEFFICIENTS; SEMI-EMPIRICAL; WATER CLUSTER;

DISTRIBUTION FUNCTIONS; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGEN BONDS; LIQUIDS; POLARIZATION; POPULATION STATISTICS; WATER VAPOR;

PHASE INTERFACES;

ICE; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; VOLATILIZATION;

HYDROGEN BONDING; ICE; VOLATILIZATION; WATER;

EID: 79959994449     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110481m     Document Type: Article

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