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225 related items for PubMed ID: 16526733

  • 1. Density functional theoretical calculations for a Co2/gamma-Al2O3 model catalyst: structures of the gamma-Al2O3 bulk and surface and attachment sites for Co2+ ions.
    Taniike T, Tada M, Morikawa Y, Sasaki T, Iwasawa Y.
    J Phys Chem B; 2006 Mar 16; 110(10):4929-36. PubMed ID: 16526733
    [Abstract] [Full Text] [Related]

  • 2. Brönsted and Lewis acidity of the BF3/gamma-Al2O3 alkylation catalyst as revealed by solid-state NMR spectroscopy and DFT quantum chemical calculations.
    Yang J, Zheng A, Zhang M, Luo Q, Yue Y, Ye C, Lu X, Deng F.
    J Phys Chem B; 2005 Jul 14; 109(27):13124-31. PubMed ID: 16852633
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  • 3. Characterization of gamma-Ga2O3-Al2O3 prepared by solvothermal method and its performance for methane-SCR of NO.
    Nakatani T, Watanabe T, Takahashi M, Miyahara Y, Deguchi H, Iwamoto S, Kanai H, Inoue M.
    J Phys Chem A; 2009 Jun 25; 113(25):7021-9. PubMed ID: 19480421
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  • 4. Adsorption and protonation of CO2 on partially hydroxylated gamma-Al2O3 surfaces: a density functional theory study.
    Pan Y, Liu CJ, Ge Q.
    Langmuir; 2008 Nov 04; 24(21):12410-9. PubMed ID: 18834159
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  • 5. Density functional theory (DFT) and DRIFTS investigations of the formation and adsorption of enolic species on the Ag/Al2O3 surface.
    Gao H, He H, Yu Y, Feng Q.
    J Phys Chem B; 2005 Jul 14; 109(27):13291-5. PubMed ID: 16852657
    [Abstract] [Full Text] [Related]

  • 6. Examination of spinel and nonspinel structural models for gamma-Al2O3 by DFT and rietveld refinement simulations.
    Sun M, Nelson AE, Adjaye J.
    J Phys Chem B; 2006 Feb 09; 110(5):2310-7. PubMed ID: 16471818
    [Abstract] [Full Text] [Related]

  • 7. Elimination of formaldehyde over Cu-Al2O3 catalyst at room temperature.
    Zhang CB, Shi XY, Gao HW, He H.
    J Environ Sci (China); 2005 Feb 09; 17(3):429-32. PubMed ID: 16083117
    [Abstract] [Full Text] [Related]

  • 8. Periodic DFT study of the structural and electronic properties of bulk CoAl2O4 spinel.
    Tielens F, Calatayud M, Franco R, Recio JM, Pérez-Ramírez J, Minot C.
    J Phys Chem B; 2006 Jan 19; 110(2):988-95. PubMed ID: 16471633
    [Abstract] [Full Text] [Related]

  • 9. Experimental and theoretical studies of surface nitrate species on Ag/Al2O3 using DRIFTS and DFT.
    Zhang X, He H, Gao H, Yu Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1446-51. PubMed ID: 18524669
    [Abstract] [Full Text] [Related]

  • 10. Methanol adsorption on the beta-Ga2O3 surface with oxygen vacancies: theoretical and experimental approach.
    Branda MM, Collins SE, Castellani NJ, Baltanas MA, Bonivardi AL.
    J Phys Chem B; 2006 Jun 22; 110(24):11847-53. PubMed ID: 16800487
    [Abstract] [Full Text] [Related]

  • 11. Ab initio cluster calculations on the electronic structure of oxygen vacancies at the polar ZnO(0001) surface and on the adsorption of H2, CO, and CO2 at these sites.
    Fink K.
    Phys Chem Chem Phys; 2006 Apr 07; 8(13):1482-9. PubMed ID: 16633631
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  • 19. Theoretical study on (Al2O3)n (n = 1-10 and 30) fullerenes and H2 adsorption properties.
    Sun J, Lu WC, Zhang W, Zhao LZ, Li ZS, Sun CC.
    Inorg Chem; 2008 Apr 07; 47(7):2274-9. PubMed ID: 18311886
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