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OLYP spin densities for broken-symmetry states of iron nitrosyls: A, [Fe(H2O)5(NO)]2+; B, [Fe(NO)(dtci-Pr2)2]; C, [Fe(SPh)2(NO)2]−; D, [Fe(SC2H3N3)(SC2H2N3)(NO)2]; E, [Fe2(NO)2(Et-HPTB)(O2CPh)]2+; F, [Fe(NO)2{Fe(NO)(N(CH2CH2S)3)}-S, S′]; G, [Fe4(NO)7(μ3-S)3]−; H, [Fe4(NO)4(μ3-S)4]−; I, [Fe4(NO)4(μ3-S)4)].
