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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[41] Effective (n-6) Lennard-jones Potentials with Temperature-Dependent Parameters Introduced for Accurate Calculation of Equilibrium and Transport Properties of Ethene, Propene, Butene, and Cyclopropane
Zarkova, Lydia
Hohm, Uwe
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2009, 54 (06): : 1648 - 1655
[42] LENNARD-JONES (12,6) PARAMETERS FOR THE NON-IONIC CONTRIBUTIONS TO INTER-IONIC PAIR-POTENTIALS OF ALKALI CATIONS AND HALIDE ANIONS FROM CRYSTAL DATA
FISCHER, W
BRICKMANN, J
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1982, 86 (07): : 650 - 656
[43] LENNARD-JONES POTENTIAL CALCULATIONS OF BARRIER TO ROTATION AROUND GLYCOSIDIC C-N LINKAGE IN SELECTED PURINE NUCLEOSIDES AND NUCLEOTIDES - DIRECT COMPARISON OF RESULTS OF 6-12 POTENTIAL CALCULATIONS WITH RESULTS OF SEMIEMPIRICAL MOLECULAR-ORBITAL STUDIES
JORDAN, F
JOURNAL OF THEORETICAL BIOLOGY, 1973, 41 (02) : 375 - 395
[44] DETERMINATION OF PARAMETERS OF LENNARD-JONES(12-6) POTENTIAL FOR AR-AR, AR-CH4, HE-AR AND HE-CH4 BY MEANS OF SUPERSONIC MOLECULAR BEAMS
ECKELT, WR
SCHIMPKE, B
SCHUGERL, K
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1969, 68 (3-6): : 266 - +
[45] DETERMINATION OF PARAMETERS OF LENNARD-JONES (12,6)-POTENTIAL FOR AR-C2H6,AR-N2,HE-C2H6 AND HE-N2 BY MEANS OF SUPERSONIC MOLECULAR BEAMS
SCHIMPKE, B
SCHUGERL, K
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1970, 73 (1-3): : 150 - &
[46] STATIC AND DYNAMIC CROSS-CORRELATION IN THERMODYNAMICALLY STABLE AND UNSTABLE MIXTURES .1. A MOLECULAR-DYNAMICS SIMULATION STUDY USING LENNARD-JONES (12-6) PAIR POTENTIAL FUNCTIONS WITH IDENTICAL OMICRON-PARAMETERS
SCHOEN, M
HOHEISEL, C
MOLECULAR PHYSICS, 1984, 53 (06) : 1367 - 1380

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