Polarizability versus mobility: atomistic force field for ionic liquids
نویسندگان
چکیده
منابع مشابه
Force field for the atomistic simulation of the properties of hydrazine, organic hydrazine derivatives, and energetic hydrazinium ionic liquids*
A force field (FF) is reported for hydrazine (N2H4) and organic hydrazine derivatives, including monomethylhydrazine, 1,1-dimethylhydrazine, monoethyl hydrazine, and 2-hydroxyethylhydrazine. The FF successfully reproduces a range of equilibrium properties, including vapor–liquid coexistence densities, vapor pressures, enthalpies of vaporization, and critical properties. Several dynamic properti...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2011
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c1cp21379b