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Journal Abstract Search

565 related items for PubMed ID: 17107180

  • 21. Adsorption of water on reconstructed rutile TiO2(011)-(2 x 1): Ti=O double bonds and surface reactivity.
    Di Valentin C, Tilocca A, Selloni A, Beck TJ, Klust A, Batzill M, Losovyj Y, Diebold U.
    J Am Chem Soc; 2005 Jul 13; 127(27):9895-903. PubMed ID: 15998096
    [Abstract] [Full Text] [Related]

  • 22. Theoretical study of oxygen adsorption on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for M = Ti, Fe and n = 3-7.
    Torres MB, Fernández EM, Balbás LC.
    J Phys Chem A; 2008 Jul 24; 112(29):6678-89. PubMed ID: 18578480
    [Abstract] [Full Text] [Related]

  • 23. The role of surface and subsurface point defects for chemical model studies on TiO2: a first-principles theoretical study of formaldehyde bonding on rutile TiO2(110).
    Haubrich J, Kaxiras E, Friend CM.
    Chemistry; 2011 Apr 11; 17(16):4496-506. PubMed ID: 21433119
    [Abstract] [Full Text] [Related]

  • 24. Computational study of ethanol adsorption and reaction over rutile TiO2 (110) surfaces.
    Muir JM, Choi Y, Idriss H.
    Phys Chem Chem Phys; 2012 Sep 14; 14(34):11910-9. PubMed ID: 22832869
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  • 25. Understanding adsorption of hydrogen atoms on graphene.
    Casolo S, Løvvik OM, Martinazzo R, Tantardini GF.
    J Chem Phys; 2009 Feb 07; 130(5):054704. PubMed ID: 19206986
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  • 26. Interaction of oxygen with TiN(001): N<-->O exchange and oxidation process.
    Graciani J, Fdez Sanz J, Asaki T, Nakamura K, Rodriguez JA.
    J Chem Phys; 2007 Jun 28; 126(24):244713. PubMed ID: 17614583
    [Abstract] [Full Text] [Related]

  • 27. A density-functional-theory study of atomic nitrogen abstraction from Si(100)-(2 x 1) by a gaseous O(3P) atom.
    Herrera-Morales PE, Weaver JF.
    J Chem Phys; 2005 Jun 15; 122(23):234705. PubMed ID: 16008471
    [Abstract] [Full Text] [Related]

  • 28. Adsorption, vibration, and diffusion of O atoms on Rh low-index and (711) stepped defective surfaces.
    Diao ZY, Hao C, Wang ZX, Dong CC, Pang XH.
    J Phys Chem B; 2005 Jun 30; 109(25):12467-73. PubMed ID: 16852541
    [Abstract] [Full Text] [Related]

  • 29. Adsorption of atoms on cu surfaces: a density functional theory study.
    Pang XY, Xue LQ, Wang GC.
    Langmuir; 2007 Apr 24; 23(9):4910-7. PubMed ID: 17388612
    [Abstract] [Full Text] [Related]

  • 30. Quantum molecular dynamics study of water on TiO2(110) surface.
    Zhang W, Yang J, Luo Y, Monti S, Carravetta V.
    J Chem Phys; 2008 Aug 14; 129(6):064703. PubMed ID: 18715098
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  • 32. Effects of coverage on the structures, energetics, and electronics of oxygen adsorption on RuO2(110).
    Wang H, Schneider WF.
    J Chem Phys; 2007 Aug 14; 127(6):064706. PubMed ID: 17705620
    [Abstract] [Full Text] [Related]

  • 33. Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics.
    Kotomin EA, Mastrikov YA, Heifets E, Maier J.
    Phys Chem Chem Phys; 2008 Aug 21; 10(31):4644-9. PubMed ID: 18665314
    [Abstract] [Full Text] [Related]

  • 34. Adsorption and vibrational spectroscopy of CO on mordenite: Ab initio density-functional study.
    Bucko T, Hafner J, Benco L.
    J Phys Chem B; 2005 Apr 21; 109(15):7345-57. PubMed ID: 16851841
    [Abstract] [Full Text] [Related]

  • 35. Peptide/TiO2 surface interaction: a theoretical and experimental study on the structure of adsorbed ALA-GLU and ALA-LYS.
    Monti S, Carravetta V, Battocchio C, Iucci G, Polzonetti G.
    Langmuir; 2008 Apr 01; 24(7):3205-14. PubMed ID: 18275228
    [Abstract] [Full Text] [Related]

  • 36. Peroxide and superoxide states of adsorbed O(2) on anatase TiO(2) (101) with subsurface defects.
    Aschauer U, Chen J, Selloni A.
    Phys Chem Chem Phys; 2010 Oct 28; 12(40):12956-60. PubMed ID: 20820549
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  • 39. Lithium adsorption on graphite from density functional theory calculations.
    Valencia F, Romero AH, Ancilotto F, Silvestrelli PL.
    J Phys Chem B; 2006 Aug 03; 110(30):14832-41. PubMed ID: 16869593
    [Abstract] [Full Text] [Related]

  • 40. Evidence from first principles calculations for a bent CO2 intermediate in the oxidation of carbon monoxide on the Cu (110) surface.
    Liem SY, Clarke JH.
    J Chem Phys; 2004 Sep 01; 121(9):4339-45. PubMed ID: 15332984
    [Abstract] [Full Text] [Related]

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