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565 related items for PubMed ID: 17107180

  • 1. Theoretical study of adsorption of O((3)P) and H(2)O on the rutile TiO(2)(110) surface.
    Qu ZW, Kroes GJ.
    J Phys Chem B; 2006 Nov 23; 110(46):23306-14. PubMed ID: 17107180
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  • 2. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.
    Chrétien S, Metiu H.
    J Chem Phys; 2008 Aug 21; 129(7):074705. PubMed ID: 19044790
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  • 3. Density functional study of the interfacial electron transfer pathway for monolayer-adsorbed InN on the TiO(2) anatase (101) surface.
    Lin JS, Chou WC, Lu SY, Jang GJ, Tseng BR, Li YT.
    J Phys Chem B; 2006 Nov 23; 110(46):23460-6. PubMed ID: 17107198
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  • 4. Ba adsorption on the stoichiometric and defective TiO(2) (110) surface from first-principles calculations.
    San Miguel MA, Oviedo J, Sanz JF.
    J Phys Chem B; 2006 Oct 05; 110(39):19552-6. PubMed ID: 17004818
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  • 5. A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001).
    Gamallo P, Sayós R.
    Phys Chem Chem Phys; 2007 Oct 07; 9(37):5112-20. PubMed ID: 17878987
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  • 6. Interaction of Pt clusters with the anatase TiO(2)(101) surface: a first principles study.
    Han Y, Liu CJ, Ge Q.
    J Phys Chem B; 2006 Apr 13; 110(14):7463-72. PubMed ID: 16599526
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  • 7. Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface.
    Chrétien S, Metiu H.
    J Chem Phys; 2007 Dec 28; 127(24):244708. PubMed ID: 18163696
    [Abstract] [Full Text] [Related]

  • 8. Adsorption of atomic oxygen and nitrogen at beta-cristobalite (100): a density functional theory study.
    Arasa C, Gamallo P, Sayós R.
    J Phys Chem B; 2005 Aug 11; 109(31):14954-64. PubMed ID: 16852894
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  • 9. First principles analysis of H2O adsorption on the (110) surfaces of SnO2, TiO2 and their solid solutions.
    Hahn KR, Tricoli A, Santarossa G, Vargas A, Baiker A.
    Langmuir; 2012 Jan 17; 28(2):1646-56. PubMed ID: 22149350
    [Abstract] [Full Text] [Related]

  • 10. Comparative study of water dissociation on Rh(111) and Ni(111) studied with first principles calculations.
    Pozzo M, Carlini G, Rosei R, Alfè D.
    J Chem Phys; 2007 Apr 28; 126(16):164706. PubMed ID: 17477623
    [Abstract] [Full Text] [Related]

  • 11. Adsorption states and mobility of trimethylacetic acid molecules on reduced TiO(2)(110) surface.
    Lyubinetsky I, Deskins NA, Du Y, Vestergaard EK, Kim DJ, Dupuis M.
    Phys Chem Chem Phys; 2010 Jun 21; 12(23):5986-92. PubMed ID: 20490397
    [Abstract] [Full Text] [Related]

  • 12. Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101).
    Cheng H, Selloni A.
    J Chem Phys; 2009 Aug 07; 131(5):054703. PubMed ID: 19673581
    [Abstract] [Full Text] [Related]

  • 13. Adsorption of uranyl species onto the rutile (110) surface: a periodic DFT study.
    Pan QJ, Odoh SO, Asaduzzaman AM, Schreckenbach G.
    Chemistry; 2012 Jan 27; 18(5):1458-66. PubMed ID: 22213421
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  • 16. Adsorption and dissociation of H2O2 on Pt and Pt-alloy clusters and surfaces.
    Balbuena PB, Calvo SR, Lamas EJ, Salazar PF, Seminario JM.
    J Phys Chem B; 2006 Sep 07; 110(35):17452-9. PubMed ID: 16942084
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  • 20. First-principles calculations of the adsorption of nitromethane and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the alpha-Al2O3(0001) surface.
    Sorescu DC, Boatz JA, Thompson DL.
    J Phys Chem B; 2005 Feb 03; 109(4):1451-63. PubMed ID: 16851116
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