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871 related items for PubMed ID: 16494422

  • 1. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations.
    Napoleon RL, Moore PB.
    J Phys Chem B; 2006 Mar 02; 110(8):3666-73. PubMed ID: 16494422
    [Abstract] [Full Text] [Related]

  • 2. Molecular dynamics study of the properties of capsaicin in an 1-octanol/water system.
    Lambert JW, Sum AK.
    J Phys Chem B; 2006 Feb 09; 110(5):2351-7. PubMed ID: 16471824
    [Abstract] [Full Text] [Related]

  • 3. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
    [Abstract] [Full Text] [Related]

  • 4. Adsorption of 1-octanol at the free water surface as studied by Monte Carlo simulation.
    Jedlovszky P, Varga I, Gilányi T.
    J Chem Phys; 2004 Jun 22; 120(24):11839-51. PubMed ID: 15268218
    [Abstract] [Full Text] [Related]

  • 5. Distribution, structure, and dynamics of cesium and iodide ions at the H2O-CCl4 and H2O-vapor interfaces.
    Wick CD, Dang LX.
    J Phys Chem B; 2006 Apr 06; 110(13):6824-31. PubMed ID: 16570991
    [Abstract] [Full Text] [Related]

  • 6. Deblurred observation of the molecular structure of an oil-water interface.
    Ashbaugh HS, Pratt LR, Paulaitis ME, Clohecy J, Beck TL.
    J Am Chem Soc; 2005 Mar 09; 127(9):2808-9. PubMed ID: 15740089
    [Abstract] [Full Text] [Related]

  • 7. Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results.
    Hantal G, Darvas M, Pártay LB, Horvai G, Jedlovszky P.
    J Phys Condens Matter; 2010 Jul 21; 22(28):284112. PubMed ID: 21399284
    [Abstract] [Full Text] [Related]

  • 8. Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study.
    Kuo IF, Mundy CJ, Eggimann BL, McGrath MJ, Siepmann JI, Chen B, Vieceli J, Tobias DJ.
    J Phys Chem B; 2006 Mar 02; 110(8):3738-46. PubMed ID: 16494432
    [Abstract] [Full Text] [Related]

  • 9. Microscopic structure and solvation in dry and wet octanol.
    Chen B, Siepmann JI.
    J Phys Chem B; 2006 Mar 02; 110(8):3555-63. PubMed ID: 16494411
    [Abstract] [Full Text] [Related]

  • 10. Liquid-vapor interface of methanol-water mixtures: a molecular dynamics study.
    Chang TM, Dang LX.
    J Phys Chem B; 2005 Mar 31; 109(12):5759-65. PubMed ID: 16851625
    [Abstract] [Full Text] [Related]

  • 11. Structure of the liquid-vapor interface of water-methanol mixtures as seen from Monte Carlo simulations.
    Pártay L, Jedlovszky P, Vincze A, Horvai G.
    J Phys Chem B; 2005 Nov 03; 109(43):20493-503. PubMed ID: 16853652
    [Abstract] [Full Text] [Related]

  • 12. Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface.
    Chevrot G, Schurhammer R, Wipff G.
    Phys Chem Chem Phys; 2007 Apr 28; 9(16):1991-2003. PubMed ID: 17431527
    [Abstract] [Full Text] [Related]

  • 13. Properties of free surface of water-methanol mixtures. Analysis of the truly interfacial molecular layer in computer simulation.
    Partay LB, Jedlovszky P, Vincze A, Horvai G.
    J Phys Chem B; 2008 May 01; 112(17):5428-38. PubMed ID: 18393551
    [Abstract] [Full Text] [Related]

  • 14. Influence of alkanethiol self-assembled monolayers with various tail groups on structural and dynamic properties of water films.
    Yang AC, Weng CI.
    J Chem Phys; 2008 Oct 21; 129(15):154710. PubMed ID: 19045221
    [Abstract] [Full Text] [Related]

  • 15. Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids.
    Paul S, Chandra A.
    J Phys Chem B; 2007 Nov 01; 111(43):12500-7. PubMed ID: 17927243
    [Abstract] [Full Text] [Related]

  • 16. Liquid-vapor interfacial properties of water-ammonia mixtures: dependence on ammonia concentration.
    Paul S, Chandra A.
    J Chem Phys; 2005 Nov 01; 123(17):174712. PubMed ID: 16375562
    [Abstract] [Full Text] [Related]

  • 17. Organization of water and atmospherically relevant ions and solutes: vibrational sum frequency spectroscopy at the vapor/liquid and liquid/solid interfaces.
    Jubb AM, Hua W, Allen HC.
    Acc Chem Res; 2012 Jan 17; 45(1):110-9. PubMed ID: 22066822
    [Abstract] [Full Text] [Related]

  • 18. Microscopic and thermodynamic properties of the HFA134a-water interface: atomistic computer simulations and tensiometry under pressure.
    Peguin RP, Selvam P, da Rocha SR.
    Langmuir; 2006 Oct 10; 22(21):8826-30. PubMed ID: 17014124
    [Abstract] [Full Text] [Related]

  • 19. Hydrated excess proton at water-hydrophobic interfaces.
    Iuchi S, Chen H, Paesani F, Voth GA.
    J Phys Chem B; 2009 Apr 02; 113(13):4017-30. PubMed ID: 18821788
    [Abstract] [Full Text] [Related]

  • 20. Liquid-vapor interfaces of water-acetonitrile mixtures of varying composition.
    Paul S, Chandra A.
    J Chem Phys; 2005 Nov 08; 123(18):184706. PubMed ID: 16292920
    [Abstract] [Full Text] [Related]

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