Title : Effect of surrounding point charges on the density functional calculations of NixOx clusters (x = 4-12).

Pub. Date : 2007 May

PMID : 17299835






1 Functional Relationships(s)
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1 The orbital population near the Fermi level does not depend on the cluster size and is characterized by hybridized Ni 3d and O 2p orbitals with relative oxygen contribution of about 70%. Oxygen immunoglobulin kappa variable 1D-39 Homo sapiens