The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

Robert J. Deeth, Natalie Fey. The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes. Journal of Computational Chemistry, 25(15):1840-1848, 2004. [doi]

Abstract

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