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Journal Abstract Search

177 related items for PubMed ID: 22034922

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  • 2. Transferable force field for equilibrium and transport properties in linear and branched monofunctional and multifunctional amines. II. Secondary and tertiary amines.
    Orozco GA, Nieto-Draghi C, Mackie AD, Lachet V.
    J Phys Chem B; 2012 May 31; 116(21):6193-202. PubMed ID: 22551443
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  • 5. A Transferable Force Field for Primary, Secondary, and Tertiary Alkanolamines.
    Orozco GA, Lachet V, Nieto-Draghi C, Mackie AD.
    J Chem Theory Comput; 2013 Apr 09; 9(4):2097-103. PubMed ID: 26583556
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  • 7. TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcohols.
    Maerzke KA, Schultz NE, Ross RB, Siepmann JI.
    J Phys Chem B; 2009 May 07; 113(18):6415-25. PubMed ID: 19358558
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  • 8. Transferable force field for carboxylate esters: application to fatty acid methylic ester phase equilibria prediction.
    Ferrando N, Lachet V, Boutin A.
    J Phys Chem B; 2012 Mar 15; 116(10):3239-48. PubMed ID: 22369235
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  • 10. 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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  • 12. Anisotropic united atom model including the electrostatic interactions of benzene.
    Bonnaud P, Nieto-Draghi C, Ungerer P.
    J Phys Chem B; 2007 Apr 12; 111(14):3730-41. PubMed ID: 17388536
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  • 14. A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers.
    Ferrando N, Lachet V, Pérez-Pellitero J, Mackie AD, Malfreyt P, Boutin A.
    J Phys Chem B; 2011 Sep 15; 115(36):10654-64. PubMed ID: 21800821
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  • 18. Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine.
    Wick CD, Stubbs JM, Rai N, Siepmann JI.
    J Phys Chem B; 2005 Oct 13; 109(40):18974-82. PubMed ID: 16853443
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  • 20. Monte Carlo simulations of equilibrium solubilities and structure of water in n-alkanes and polyethylene.
    Johansson E, Bolton K, Theodorou DN, Ahlström P.
    J Chem Phys; 2007 Jun 14; 126(22):224902. PubMed ID: 17581078
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