most citedFirst principles study of Sc, Ti and V doped Na(n =4, 5, 6) clusters: Enhanced magnetic moments

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cond-mat.mtrl-sci2007★ 18 cited

First principles study of Sc, Ti and V doped Na(n =4, 5, 6) clusters: Enhanced magnetic moments

Kalpataru Pradhan, Prasenjit Sen, J. U. Reveles +1

Theoretical studies on the geometry, electronic structure and spin multiplicity of Sc, Ti and V doped Na (n = 4, 5, 6) clusters have been carried out within a gradient correcte…