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Rapid [Fe(III)-tyrosine) and slow biomineralizing ferritins: Structure and function

✍ Scribed by G.S. Waldo; J. Trikha; P.C. Weber; N. Allewell; E.C. Theil

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
86 KB
Volume
51
Category
Article
ISSN
0162-0134

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## 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 spin‐state energy preferences for a range of homoleptic Fe(II)L~6~ and Fe(III)L~6~ complexe