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351 related items for PubMed ID: 16956294

  • 1. Molecular simulation study of some thermophysical and transport properties of triazolium-based ionic liquids.
    Cadena C, Maginn EJ.
    J Phys Chem B; 2006 Sep 14; 110(36):18026-39. PubMed ID: 16956294
    [Abstract] [Full Text] [Related]

  • 2. Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.
    Tsuzuki S, Shinoda W, Saito H, Mikami M, Tokuda H, Watanabe M.
    J Phys Chem B; 2009 Aug 06; 113(31):10641-9. PubMed ID: 19591511
    [Abstract] [Full Text] [Related]

  • 3. Simulations of the solid, liquid, and melting of 1-n-butyl-4-amino-1,2,4-triazolium bromide.
    Alavi S, Thompson DL.
    J Phys Chem B; 2005 Sep 29; 109(38):18127-34. PubMed ID: 16853328
    [Abstract] [Full Text] [Related]

  • 4. A force field for molecular simulation of tetrabutylphosphonium amino acid ionic liquids.
    Zhou G, Liu X, Zhang S, Yu G, He H.
    J Phys Chem B; 2007 Jun 28; 111(25):7078-84. PubMed ID: 17552552
    [Abstract] [Full Text] [Related]

  • 5. Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquids.
    Sirjoosingh A, Alavi S, Woo TK.
    J Phys Chem B; 2009 Jun 11; 113(23):8103-13. PubMed ID: 19453132
    [Abstract] [Full Text] [Related]

  • 6. Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient.
    Kowsari MH, Alavi S, Ashrafizaadeh M, Najafi B.
    J Chem Phys; 2008 Dec 14; 129(22):224508. PubMed ID: 19071929
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  • 10. Molecular dynamic simulations of ionic liquids: a reliable description of structure, thermodynamics and dynamics.
    Köddermann T, Paschek D, Ludwig R.
    Chemphyschem; 2007 Dec 03; 8(17):2464-70. PubMed ID: 17943710
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  • 11. Molecular modeling and experimental studies of the thermodynamic and transport properties of pyridinium-based ionic liquids.
    Cadena C, Zhao Q, Snurr RQ, Maginn EJ.
    J Phys Chem B; 2006 Feb 16; 110(6):2821-32. PubMed ID: 16471891
    [Abstract] [Full Text] [Related]

  • 12. A novel united-atom force field for imidazolium-based ionic liquids.
    Liu Z, Wu X, Wang W.
    Phys Chem Chem Phys; 2006 Mar 07; 8(9):1096-104. PubMed ID: 16633591
    [Abstract] [Full Text] [Related]

  • 13. Molecular force field for ionic liquids III: imidazolium, pyridinium, and phosphonium cations; chloride, bromide, and dicyanamide anions.
    Canongia Lopes JN, Padua AA.
    J Phys Chem B; 2006 Oct 05; 110(39):19586-92. PubMed ID: 17004824
    [Abstract] [Full Text] [Related]

  • 14. Molecular dynamics simulation of imidazolium-based ionic liquids. II. Transport coefficients.
    Kowsari MH, Alavi S, Ashrafizaadeh M, Najafi B.
    J Chem Phys; 2009 Jan 07; 130(1):014703. PubMed ID: 19140627
    [Abstract] [Full Text] [Related]

  • 15. A force field for guanidinium-based ionic liquids that utilizes the electron charge distribution of the actual liquid: a molecular simulation study.
    Klähn M, Seduraman A, Wu P.
    J Phys Chem B; 2008 Sep 04; 112(35):10989-1004. PubMed ID: 18683968
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. Why Is CO2 so soluble in imidazolium-based ionic liquids?
    Cadena C, Anthony JL, Shah JK, Morrow TI, Brennecke JF, Maginn EJ.
    J Am Chem Soc; 2004 Apr 28; 126(16):5300-8. PubMed ID: 15099115
    [Abstract] [Full Text] [Related]

  • 18. Syntheses and characterization of unsymmetric dicationic salts incorporating imidazolium and triazolium functionalities.
    Wang R, Jin CM, Twamley B, Shreeve JM.
    Inorg Chem; 2006 Aug 07; 45(16):6396-403. PubMed ID: 16878951
    [Abstract] [Full Text] [Related]

  • 19. Molecular simulation of guanidinium-based ionic liquids.
    Liu X, Zhou G, Zhang S, Wu G, Yu G.
    J Phys Chem B; 2007 May 24; 111(20):5658-68. PubMed ID: 17469867
    [Abstract] [Full Text] [Related]

  • 20. Recombination of photogenerated lophyl radicals in imidazolium-based ionic liquids.
    Strehmel V, Wishart JF, Polyansky DE, Strehmel B.
    Chemphyschem; 2009 Dec 07; 10(17):3112-8. PubMed ID: 19844933
    [Abstract] [Full Text] [Related]

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