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20062012
most citedAssessment of density functional theory for iron(II) molecules across the spin-crossover transition

125 citations · 218 across the 4 of their papers we have counts for

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Showing 2009 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2009★ 16 cited

Melting properties of a simple tight-binding model of transition metals: I.The region of half-filled d-band

C. Cazorla, D. Alfè, M. J. Gillan

We present calculations of the free energy, and hence the melting properties, of a simple tight-binding model for transition metals in the region of d-band filling near the middle…