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166 related items for PubMed ID: 12116410

  • 21. Equilibrium density of states and thermodynamic properties of a model glass former.
    Calvo F, Bogdan TV, de Souza VK, Wales DJ.
    J Chem Phys; 2007 Jul 28; 127(4):044508. PubMed ID: 17672708
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  • 22. Revised charge equilibration potential for liquid alkanes.
    Davis JE, Warren GL, Patel S.
    J Phys Chem B; 2008 Jul 17; 112(28):8298-310. PubMed ID: 18570394
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  • 23. Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria.
    Chang J, Sandler SI.
    J Chem Phys; 2004 Oct 15; 121(15):7474-83. PubMed ID: 15473822
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  • 26. All-atom force field for the prediction of vapor-liquid equilibria and interfacial properties of HFA134a.
    Peguin RP, Kamath G, Potoff JJ, da Rocha SR.
    J Phys Chem B; 2009 Jan 08; 113(1):178-87. PubMed ID: 19086791
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  • 28. Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fields.
    Cacelli I, Gaetani LD, Prampolini G, Tani A.
    J Phys Chem B; 2007 Mar 08; 111(9):2130-7. PubMed ID: 17288473
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  • 29. The relation of interface properties and bulk phase stability: molecular dynamics simulations of carbon dioxide.
    Kraska T, Römer F, Imre AR.
    J Phys Chem B; 2009 Apr 09; 113(14):4688-97. PubMed ID: 19275205
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  • 30. Molecular dynamics study of the repulsive form influence of the interaction potential on structural, thermodynamic, interfacial, and transport properties.
    Galliero G, Boned C.
    J Chem Phys; 2008 Aug 21; 129(7):074506. PubMed ID: 19044782
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  • 31. Metastable extension of the liquid-vapor phase equilibrium curve and surface tension.
    Baidakov VG, Protsenko SP, Kozlova ZR, Chernykh GG.
    J Chem Phys; 2007 Jun 07; 126(21):214505. PubMed ID: 17567206
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  • 32. Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models.
    Yu H, Geerke DP, Liu H, van Gunsteren WF.
    J Comput Chem; 2006 Oct 07; 27(13):1494-504. PubMed ID: 16838298
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  • 33. The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations.
    Emel'yanenko VN, Verevkin SP, Heintz A.
    J Am Chem Soc; 2007 Apr 04; 129(13):3930-7. PubMed ID: 17352472
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  • 34. Thermodynamic and transport properties of carbon dioxide from molecular simulation.
    Nieto-Draghi C, de Bruin T, Pérez-Pellitero J, Bonet Avalos J, Mackie AD.
    J Chem Phys; 2007 Feb 14; 126(6):064509. PubMed ID: 17313231
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  • 39. Atomistic simulation of solid-liquid coexistence for molecular systems: application to triazole and benzene.
    Eike DM, Maginn EJ.
    J Chem Phys; 2006 Apr 28; 124(16):164503. PubMed ID: 16674142
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  • 40. Nonequilibrium melting and crystallization of a model Lennard-Jones system.
    Luo SN, Strachan A, Swift DC.
    J Chem Phys; 2004 Jun 22; 120(24):11640-9. PubMed ID: 15268198
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