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.
The 72 checked references that resolve
resolves10.1073/pnas.1008411108Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C–H bond activation transition state
resolves10.1038/nchem.943Exchange-enhanced reactivity in bond activation by metal–oxo enzymes and synthetic reagents
resolves10.1021/ar700027fHigh-Valent Iron(IV)–Oxo Complexes of Heme and Non-Heme Ligands in Oxygenation Reactions
resolves10.1016/j.ccr.2012.06.002Intrinsic properties and reactivities of mononuclear nonheme iron–oxygen complexes bearing the tetramethylcyclam ligand
resolves10.1021/cr900121sP450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
resolves10.1021/cr9900275Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
resolves10.1021/ar600042cReactivity of High-Valent Iron–Oxo Species in Enzymes and Synthetic Reagents: A Tale of Many States
resolves10.1021/cr020443gMechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes
resolves10.1021/cr030722jTheoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes
resolves10.1021/ar980009uOxygen Atom Transfer into C−H Bond in Biological and Model Chemical Systems. Mechanistic Aspects
resolves10.1038/nature10535Structure and reactivity of a mononuclear non-haem iron(III)–peroxo complex
resolves10.1002/anie.201001850Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes
resolves10.1039/C1CP22187FMechanism of benzenehydroxylation by high-valent bare Fe
<sup>iv</sup>
O
<sup>2+</sup>
: explicit electronic structure analysis
resolves10.1021/jp2120302Mechanism Insights of Ethane C–H Bond Activations by Bare [Fe
<sup>III</sup>
═O]
<sup>+</sup>
: Explicit Electronic Structure Analysis
resolves10.1021/ja074900sSpectroscopic and Quantum Chemical Studies on Low-Spin Fe<sup>IV</sup>O Complexes: Fe−O Bonding and Its Contributions to Reactivity
resolves10.1073/pnas.0604005103Direct spectroscopic detection of a C-H-cleaving high-spin Fe(IV) complex in a prolyl-4-hydroxylase
resolves10.1021/ja012621dElectronic Structure and Reactivity of Low-Spin Fe(III)−Hydroperoxo Complexes: Comparison to Activated Bleomycin
resolves10.1021/ja908340jTrends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height
resolves10.1021/ja066847yWhat is the Active Species of Cytochrome P450 during Camphor Hydroxylation? QM/MM Studies of Different Electronic States of Compound I and of Reduced and Oxidized Iron−Oxo Intermediates
resolves10.1021/ja0512428Theoretical Investigation of C−H Hydroxylation by (N4Py)Fe<sup>IV</sup>O<sup>2+</sup>: An Oxidant More Powerful than P450?
resolves10.1021/ja053847+Two States and Two More in the Mechanisms of Hydroxylation and Epoxidation by Cytochrome P450
resolves10.1002/anie.200463072Two Faces of a Biomimetic Non‐Heme HOFe<sup>V</sup>O Oxidant: Olefin Epoxidation versus <i>cis</i>‐Dihydroxylation
resolves10.1021/ja2084898Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes
resolves10.1021/jp2113522Axial Ligand Effect On The Rate Constant of Aromatic Hydroxylation By Iron(IV)–Oxo Complexes Mimicking Cytochrome P450 Enzymes
resolves10.1126/science.1193478Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics
resolves10.1073/pnas.1206457109One-electron oxidation of an oxoiron(IV) complex to form an [O═Fe
<sup>V</sup>
═NR]
<sup>+</sup>
center
resolves10.1021/ja038865aMethane-to-Methanol Oxidation by the Hydrated Iron(IV) Oxo Species in Aqueous Solution: A Combined DFT and Car−Parrinello Molecular Dynamics Study
resolves10.1021/ja061581gPropene Activation by the Oxo-Iron Active Species of Taurine/α-Ketoglutarate Dioxygenase (TauD) Enzyme. How Does the Catalysis Compare to Heme-Enzymes?
resolves10.1002/ejic.200601238The Role of Equatorial and Axial Ligands in Promoting the Activity of Non‐Heme Oxidoiron(IV) Catalysts in Alkane Hydroxylation
resolves10.1073/pnas.0605067103Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes
resolves10.1039/c2ob25406aAxial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes
resolves10.1002/chem.201003187Effect of the Axial Ligand on Substrate Sulfoxidation Mediated by Iron(IV)–Oxo Porphyrin Cation Radical Oxidants
resolves10.1002/asia.201000586The Axial Ligand Effect on Aliphatic and Aromatic Hydroxylation by Non‐heme Iron(IV)–oxo Biomimetic Complexes
resolves10.1002/chem.200802234How Does the Axial Ligand of Cytochrome P450 Biomimetics Influence the Regioselectivity of Aliphatic versus Aromatic Hydroxylation?
resolves10.1021/ic3006597Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin π-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State
resolves10.1002/ejic.200701135The EDTA Complex of Oxidoiron(IV) as Realisation of an Optimal Ligand Environment for High Activity of FeO<sup>2+</sup>
resolves10.1021/ic060740uNonheme Oxoiron(IV) Complexes of Tris(2-pyridylmethyl)amine with <i>cis</i>-Monoanionic Ligands
resolves10.1021/ar970171hHydrogen Atom Abstraction by Metal−Oxo Complexes: Understanding the Analogy with Organic Radical Reactions
resolves10.1063/1.464913Density-functional thermochemistry. III. The role of exact exchange
resolves10.1021/j100091a024Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer
resolves10.1063/1.467146Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
resolves10.1016/j.chemphys.2008.10.036Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
resolves10.1063/1.1445115Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations
resolves10.1039/P29930000799COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
resolves10.1002/jcc.21759Effect of the damping function in dispersion corrected density functional theory
resolves10.1063/1.1926277Quantifying the effects of the self-interaction error in DFT: When do the delocalized states appear?
resolves10.1021/jz201224xModeling C–H Abstraction Reactivity of Nonheme Fe(IV)O Oxidants with Alkanes: What Role Do Counter Ions Play?
resolves10.1021/ja0208862A Theoretical Study on the Mechanism of Camphor Hydroxylation by Compound I of Cytochrome P450
resolves10.1021/ic900593cFundamental Differences of Substrate Hydroxylation by High-Valent Iron(IV)-Oxo Models of Cytochrome P450
resolves10.1002/chem.200701739A Two‐State Reactivity Rationale for Counterintuitive Axial Ligand Effects on the CH Activation Reactivity of Nonheme Fe
<sup>IV</sup>
O Oxidants
resolves10.1021/ja061609oTwo-State Reactivity in Alkane Hydroxylation by Non-Heme Iron−Oxo Complexes
resolves10.1021/ja404152qA Mononuclear Non-Heme High-Spin Iron(III)–Hydroperoxo Complex as an Active Oxidant in Sulfoxidation Reactions
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