Hydrogenation of 3d‐metal oxide clusters: Effects on the structure and magnetic properties
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DOI: 10.1002/jcc.25739
Abstract: The geometrical structures and properties of the M8O12, M8O12H8, and M8O12H12 clusters are explored using density functional theory with the generalized gradient approximation for all 3d‐metals M from Sc to Zn. It is found that… read more here.
Keywords: hydrogenation; magnetic moments; spin magnetic; metal ... See more keywords