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• W2156812972 abstract "A six site potential model has been developed for liquid acetonitrile, based on atomic interaction parameters taken from studies of other liquids and partial charges derived by ab initio calculations. When used in molecular dynamics simulations, the model yields results in good agreement with experimental data on the thermodynamics, structure, self diffusion coefficients and reorientational correlation times of the liquid." @default.
• W2156812972 created "2016-06-24" @default.
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• W2156812972 date "1983-06-10" @default.
• W2156812972 modified "2023-09-26" @default.
• W2156812972 title "An effective pair potential for liquid acetonitrile" @default.
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• W2156812972 doi "https://doi.org/10.1080/00268978300101211" @default.
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