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- W2072825711 abstract "Additive third virial coefficients for a spherical-shell potential have been computed for varying shell sizes corresponding to r0*=1.4, 1.6, 1.8, 2.0, 2.5, 3.0, and 4.0, and a temperature range 0.4<T*<10.0. In addition, the first quadrupolar correction has been computed for this model. The resulting expressions are compared with experiment for seven globular molecules employing force constants deduced independently from second virial data alone. For the simpler substances the spherical-shell and Lennard-Jones (12–6) models are about equally useful in representing the data. For the truly globular molecules, however, the spherical-shell potential is a marked improvement, although Cadd alone is insufficient to represent the data. Corrections for nonadditive forces are discussed briefly and qualitatively. An argument is made to show that such corrections to spherical-shell results for globular molecules can be expected to improve the fit, whereas similar corrections to Lennard-Jones (12–6) may not. For the case of benzene we have estimated the quadrupolar correction to Cadd and shown that its inclusion seems necessary if three-body forces are to improve agreement with experiment." @default.
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- W2072825711 date "1967-02-15" @default.
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- W2072825711 title "Intermolecular Forces in Globular Molecules. IV. Additive Third Virial Coefficients and Quadrupolar Corrections" @default.
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- W2072825711 doi "https://doi.org/10.1063/1.1840880" @default.
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