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Journal Abstract Search

245 related items for PubMed ID: 18278952

  • 21. Pristine and hydrated fluoroapatite (0001).
    Torrelles X, Nadeem IM, Kupka A, Crespo-Villanueva A, Meis S, Gies H, Bikondoa O.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2019 Oct 01; 75(Pt 5):830-838. PubMed ID: 32830762
    [Abstract] [Full Text] [Related]

  • 22. Distorted five-fold coordination of Cu2+(aq) from a Car-Parrinello molecular dynamics simulation.
    Amira S, Spångberg D, Hermansson K.
    Phys Chem Chem Phys; 2005 Aug 07; 7(15):2874-80. PubMed ID: 16189606
    [Abstract] [Full Text] [Related]

  • 23. Molecular simulation studies of protein interactions with zwitterionic phosphorylcholine self-assembled monolayers in the presence of water.
    He Y, Hower J, Chen S, Bernards MT, Chang Y, Jiang S.
    Langmuir; 2008 Sep 16; 24(18):10358-64. PubMed ID: 18690732
    [Abstract] [Full Text] [Related]

  • 24. Structure and vibrational spectroscopy of salt water/air interfaces: predictions from classical molecular dynamics simulations.
    Brown EC, Mucha M, Jungwirth P, Tobias DJ.
    J Phys Chem B; 2005 Apr 28; 109(16):7934-40. PubMed ID: 16851926
    [Abstract] [Full Text] [Related]

  • 25. Spatial hydration maps and dynamics of naphthalene in ambient and supercritical water.
    Svishchev IM, Plugatyr A, Nahtigal IG.
    J Chem Phys; 2008 Mar 28; 128(12):124514. PubMed ID: 18376950
    [Abstract] [Full Text] [Related]

  • 26. Water density in the electric double layer at the insulator/electrolyte solution interface.
    Tikhonov AM.
    J Phys Chem B; 2006 Feb 16; 110(6):2746-50. PubMed ID: 16471880
    [Abstract] [Full Text] [Related]

  • 27. Surface protonation at the rutile (110) interface: explicit incorporation of solvation structure within the refined MUSIC model framework.
    Machesky ML, Predota M, Wesolowski DJ, Vlcek L, Cummings PT, Rosenqvist J, Ridley MK, Kubicki JD, Bandura AV, Kumar N, Sofo JO.
    Langmuir; 2008 Nov 04; 24(21):12331-9. PubMed ID: 18842061
    [Abstract] [Full Text] [Related]

  • 28. Molecular dynamics simulations of the solution-air interface of aqueous sodium nitrate.
    Thomas JL, Roeselová M, Dang LX, Tobias DJ.
    J Phys Chem A; 2007 Apr 26; 111(16):3091-8. PubMed ID: 17402716
    [Abstract] [Full Text] [Related]

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  • 31. Structure of the water/platinum interface--a first principles simulation under bias potential.
    Otani M, Hamada I, Sugino O, Morikawa Y, Okamoto Y, Ikeshoji T.
    Phys Chem Chem Phys; 2008 Jul 07; 10(25):3609-12. PubMed ID: 18563221
    [Abstract] [Full Text] [Related]

  • 32. Crystal water dynamics of guanosine dihydrate: analysis of atomic displacement parameters, time profile of hydrogen-bonding probability, and translocation of water by MD simulation.
    Yoneda S, Sugawara Y, Urabe H.
    J Phys Chem B; 2005 Jan 27; 109(3):1304-12. PubMed ID: 16851095
    [Abstract] [Full Text] [Related]

  • 33. Structure of the interface between two polar liquids: nitrobenzene and water.
    Luo G, Malkova S, Pingali SV, Schultz DG, Lin B, Meron M, Benjamin I, Vanysek P, Schlossman ML.
    J Phys Chem B; 2006 Mar 16; 110(10):4527-30. PubMed ID: 16526678
    [Abstract] [Full Text] [Related]

  • 34. Stability of the polar {111} NaCl crystal face.
    Radenović N, Kaminski D, van Enckevort W, Graswinckel S, Shah I, In 't Veld M, Algra R, Vlieg E.
    J Chem Phys; 2006 Apr 28; 124(16):164706. PubMed ID: 16674156
    [Abstract] [Full Text] [Related]

  • 35. Attraction of iodide ions by the free water surface, revealed by simulations with a polarizable force field based on Drude oscillators.
    Archontis G, Leontidis E, Andreou G.
    J Phys Chem B; 2005 Sep 29; 109(38):17957-66. PubMed ID: 16853305
    [Abstract] [Full Text] [Related]

  • 36. Hydration structure on crystalline silica substrates.
    Argyris D, Cole DR, Striolo A.
    Langmuir; 2009 Jul 21; 25(14):8025-35. PubMed ID: 19456184
    [Abstract] [Full Text] [Related]

  • 37. Dynamical properties of confined water nanoclusters: Simulation study of hydrated zeolite NaA: structural and vibrational properties.
    Demontis P, Gulín-González J, Jobic H, Masia M, Sale R, Suffritti GB.
    ACS Nano; 2008 Aug 21; 2(8):1603-14. PubMed ID: 19206362
    [Abstract] [Full Text] [Related]

  • 38. Structural rearrangements during the initial growth stages of organic thin films of F16CuPc on SiO2.
    de Oteyza DG, Barrena E, Sellner S, Ossó JO, Dosch H.
    J Phys Chem B; 2006 Aug 24; 110(33):16618-23. PubMed ID: 16913797
    [Abstract] [Full Text] [Related]

  • 39. Atomic scale characterization of interfacial water near an oxide surface using molecular dynamics simulations.
    Deshmukh SA, Sankaranarayanan SK.
    Phys Chem Chem Phys; 2012 Nov 28; 14(44):15593-605. PubMed ID: 23076434
    [Abstract] [Full Text] [Related]

  • 40. Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide.
    Kuffel A, Zielkiewicz J.
    J Phys Chem B; 2008 Dec 04; 112(48):15503-12. PubMed ID: 18989911
    [Abstract] [Full Text] [Related]

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