Optimized atomic Lennard-Jones 6-12 parameters for simulating pVT properties of a realistic polymethylene melt

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J Chem Phys | / 14卷 / 5761期

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[31] EQUATION OF STATE OF DENSE FLUIDS .8. COMPARISON OF INTERNAL PRESSURE FROM PY THEORY AND LENNARD-JONES (6-12) POTENTIAL WITH EXPERIMENT
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[32] MONTE-CARLO CALCULATION OF THERMODYNAMIC PROPERTIES OF BINARY-MIXTURES OF LENNARD-JONES (12-6) LIQUIDS
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[38] HARD AND SOFT-CORE EQUATIONS OF STATE FOR SIMPLE FLUIDS .10. CHARACTERISTIC CURVES AND LOCI OF CP EXTREMA FOR THE LENNARD-JONES 6-12 EQUATION OF STATE
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[40] CALCULATIONS FOR 2ND DIELECTRIC VIRIAL-COEFFICIENTS OF NONPOLAR GASES .1. DETERMINATION OF PARAMETERS OF LENNARD-JONES (12,6) POTENTIAL
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