Effect of force-field parameters on properties of liquids: Parametrization of a simple three-site model for methanol

Journal of Chemical Physics

Volumn 112, Issue 23, 2000, Pages 10450-10459

  Walser, Regula ^a   Mark, Alan E ^a   Van Gunsteren, Wilfred F ^a   Lauterbach, Monika ^b   Wipff, Georges ^b  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY MIXTURES; COMPUTER SIMULATION; CORRELATION METHODS; ENTHALPY; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PERMITTIVITY; SPECIFIC HEAT OF LIQUIDS; THERMAL EXPANSION; WATER;

FORCE-FIELD PARAMETERS; SIMPLE POINT CHARGE (SPC) WATER;

METHANOL;

EID: 0033719853     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481680     Document Type: Article

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