Published in
Elsevier, Coordination Chemistry Reviews, 1(257), p. 27-41
DOI: 10.1016/j.ccr.2012.05.017
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A theoretical study of zero-field splitting in Fe(IV)S6 (S=1) and Fe(III)S6 (S=1/2) core complexes, [FeIV(Et2dtc)3−n(mnt)n](n−1)− and [FeIII(Et2dtc)3−n(mnt)n]n− (n=0, 1, 2, 3): The origin of the magnetic anisotropy
Journal article published in 2013 by
Mihail Atanasov,
Panida Surawatanawong,
Karl Wieghardt,
Frank Neese 
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