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  • 1
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Extensive self-consistent real-space recursion-method calculations were performed for the Pt overlayer or the Pt7 cluster on the Ni(111) surface and for hydrogen chemisorption on these systems. Correlations between the surface-atom local density of electronic-state properties before chemisorption, surface reactivity, and the initial-state contribution to the metal core-level shifts, respectively, is documented and discussed. The experimentally observed catalytic properties of Pt—Ni alloy surfaces are also briefly considered. © 1996 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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