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Journal Abstract Search

224 related items for PubMed ID: 20540589

  • 1. Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation.
    Ferrando N, Lachet V, Boutin A.
    J Phys Chem B; 2010 Jul 08; 114(26):8680-8. PubMed ID: 20540589
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  • 2. 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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  • 3. 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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  • 8. Molecular modeling of phase behavior and microstructure of acetone-chloroform-methanol binary mixtures.
    Kamath G, Georgiev G, Potoff JJ.
    J Phys Chem B; 2005 Oct 20; 109(41):19463-73. PubMed ID: 16853515
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  • 9. Phase equilibria in carbon dioxide expanded solvents: Experiments and molecular simulations.
    Houndonougbo Y, Jin H, Rajagopalan B, Wong K, Kuczera K, Subramaniam B, Laird B.
    J Phys Chem B; 2006 Jul 06; 110(26):13195-202. PubMed ID: 16805632
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  • 12. Monte Carlo predictions of phase equilibria and structure for dimethyl ether + sulfur dioxide and dimethyl ether + carbon dioxide.
    Kamath G, Ketko M, Baker GA, Potoff JJ.
    J Chem Phys; 2012 Jan 28; 136(4):044514. PubMed ID: 22299898
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  • 20. Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system.
    Hansen N, Jakobtorweihen S, Keil FJ.
    J Chem Phys; 2005 Apr 22; 122(16):164705. PubMed ID: 15945697
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