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What Singles out the FeO<sup>2+</sup>Moiety? A Density-Functional Theory Study of the Methane-to-Methanol Reaction Catalyzed by the First Row Transition-Metal Oxide Dications MO(H<sub>2</sub>O)<sub><i>p</i></sub><sup>2+</sup>, M = V−Cu

https://doi.org/10.1021/ic802095m
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44/44 checkable references clean · checked 2026-07-22

Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

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The 44 checked references that resolve
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The 6 references without a DOI — listed, not checked
no DOI — not checkedCatalytic Oxidation: Principles and Applications
no DOI — not checkedref5/cit5
no DOI — not checkedChemistry of the elements
no DOI — not checkedSCM, ADF2006.01
no DOI — not checkedCobalt is the only case where the spin state of the complex MO(H2O)p2+differs from the spin state of the bare oxo MO2+.
no DOI — not checkedThe orbitals of the fragments are obtained in spin restricted calculations on the fragments with the geometries they have in the transition state. The orbital occupations have been enforced to yield electronic structures for the fragments that conform to the situation in the complex.
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