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Theoretical explanation of the observed shift in density of states upon hydrogen chemisorption on nickel

Abstract:

We report a calculation, using the MINDO/SR method, of the difference in density of states for a 14-nickel atom cluster. It is observed that the theoretical curve matches very closely the experimental one. Based on these results, the nature of NiH bond is discussed. © 1986.

Año de publicación:

1986

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Ciencia de materiales
    • Física

    Áreas temáticas:

    • Física
    • Física moderna
    • Química y ciencias afines

    Contribuidores:

    Eduardo V. LudeñaEduardo V. Ludeña
    Castro G.R.Castro G.R.
    Ruette F.Ruette F.
    Hernandez A.J.Hernandez A.J.