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Is [FeO]<sup>2+</sup> the Active Center Also in Iron Containing Zeolites? A Density Functional Theory Study of Methane Hydroxylation Catalysis by Fe-ZSM-5 Zeolite
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Theoretical spectroscopy of model-nonheme [Fe(IV)OL5]2+ complexes in their lowest triplet and quintet states using multireference ab initio and density functional theory methods
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Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set
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Theoretical Study of the Fe(phen)<sub>2</sub>(NCS)<sub>2</sub> Spin-Crossover Complex with Reparametrized Density Functionals
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Density-Functional Theory Investigation of the Geometric, Energetic, and Optical Properties of the Cobalt(II)tris(2,2‘-bipyridine) Complex in the High-Spin and the Jahn−Teller Active Low-Spin States
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The 4 references without a DOI — listed, not checked
no DOI — not checkedMetal Complexes in Biomimetic Chemical Reactions
no DOI — not checkedref54/cit54
no DOI — not checkedADF2008.01
no DOI — not checkedTURBOMOLE
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