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Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979239187> ?p ?o ?g. }

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• W1979239187 abstract "Molecular dynamics calculations of the pressure in fluids of propane, pentane, and decane show that the pressure in the traditional united-atom model which treats a methylene group as one isotropical interaction unit, scales incorrectly with respect to temperature and density. The shortcoming can, however, easily be overcome by introducing realistic anisotropic intermolecular potential functions. The anisotropy is achieved by taking the geometrical mean position of the valence electrons as the origin for intermolecular interactions of the methylene subunits." @default.
• W1979239187 created "2016-06-24" @default.
• W1979239187 creator A5025642972 @default.
• W1979239187 date "1990-09-15" @default.
• W1979239187 modified "2023-09-28" @default.
• W1979239187 title "Molecular dynamics calculation of the equation of state of alkanes" @default.
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• W1979239187 doi "https://doi.org/10.1063/1.458709" @default.
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