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DFT predictions for hydrogen atom transfer at the [FeO]2+ group: A distinct activity of the oxyl state FeIII-O•
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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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resolves10.1016/j.ccr.2012.03.047
Oxoferryl species in mononuclear non-heme iron enzymes: Biosynthesis, properties and reactivity from a theoretical perspective
resolves10.1016/j.jcat.2014.07.009
Quasicatalytic and catalytic oxidation of methane to methanol by nitrous oxide over FeZSM-5 zeolite
resolves10.1002/anie.201108706
Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper‐Promoted Fe‐ZSM‐5
resolves10.1016/S0920-5861(00)00243-1
Hydroxides of transition metals as artificial catalysts for oxidation of water to dioxygen
resolves10.1016/j.cplett.2014.11.061
The routes of association of (hydro)oxo centers on iron hydroxide at the water oxidation process: DFT predictions
resolves10.1016/j.cplett.2015.10.016
Distinct activity of the oxyl FeIIIO group in the methane dissociation by activated iron hydroxide: DFT predictions
resolves10.1002/qua.24228
Net spin and polarization components of the spin density for the single determinant in the basis of paired orbitals
resolves10.1063/1.4771704
Theory of chemical bonds in metalloenzymes - Manganese oxides clusters in the oxygen evolution center -
resolves10.1073/pnas.1212693109
π-Frontier molecular orbitals in
<i>S</i>
= 2 ferryl species and elucidation of their contributions to reactivity
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