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- W2066704848 abstract "The electronic structure and the optimized geometry correlate! The results of local density functional calculations on [(tpa)Fe(μO)2Fe(tpa)]3+ (tpa = tris(2-pyridylmethyl)amine) are consistent with experimental findings and provide a rationale for the quartet ground state (sketched out in the energy diagram on the right)." @default.
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- W2066704848 title "Electronic Structure of Non-Heme High-Valent Oxoiron Complexes with the Unprecedented[Fe2(μO)2]3+ Core" @default.
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- W2066704848 doi "https://doi.org/10.1002/anie.199607701" @default.
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