The performance of nonhybrid density fun
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Robert J. Deeth; Natalie Fey
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Article
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2004
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John Wiley and Sons
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English
β 160 KB
π 1 views
## Abstract The local density approximation and a range of nonhybrid gradient corrected density functionals (PW91, BLYP, PBE, revPBE, RPBE) have been assessed with respect to the prediction of geometries and spinβstate energy preferences for a range of homoleptic Fe(II)L~6~ and Fe(III)L~6~ complexe