Polarizable force field for water-dimethyl sulfoxide systems: II properties of mixtures by molecular dynamics simulations

Journal of Molecular Liquids

Volumn 145, Issue 2, 2009, Pages 67-81

  Zhang, Qiang ^a,b   Zhang, Xia ^a   Zhao, Dong Xia ^c  

^a BOHAI UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

^c LIAONING NORMAL UNIVERSITY   (China)

Author keywords

Dimethyl sulfoxide (DMSO); Hydrogen bond; Molecular dynamics simulation; Polarizable force field

Indexed keywords

BINDING SITES; DISTRIBUTION FUNCTIONS; DYNAMICS; ELECTROMAGNETIC WAVE POLARIZATION; HYDRATES; HYDROGEN; HYDROGEN BONDS; MIXTURES; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONMETALS; OXYGEN; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

ADDITIVE MODELS; CURRENT MODELS; DIELECTRIC PERMITTIVITIES; DIMETHYL SULFOXIDE (DMSO); DYNAMIC PROPERTIES; EXCESS VOLUMES; EXPERIMENTAL VALUES; FLUCTUATING CHARGES; HEAT OF VAPORIZATIONS; HYDROGEN BOND; HYDROGEN BOND INTERACTIONS; HYDROGEN-BOND CHAINS; MOLECULAR DYNAMICS SIMULATION; POLARIZABLE FORCE FIELD; POLARIZATION EFFECTS; RADIAL DISTRIBUTION FUNCTIONS; REORIENTATIONAL RELAXATION TIME; SELF-DIFFUSION COEFFICIENTS; WATER MIXTURES; WATER MODELS;

DIMETHYL SULFOXIDE;

EID: 60449119252     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2009.01.003     Document Type: Article

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