Dioxygen Cleavage and Methane Activation on Diiron Enzyme Models: A Theoretical Study
Takehiro Ohta
Journal of the American Chemical Society, 1997
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Dioxygen activation in enzymatic systems and in inorganic models
Constantinos Varotsis
Inorganica Chimica Acta, 1996
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Synthesis, X-ray Structures, Electronic Properties, and O2/NO Reactivities of Thiol Dioxygenase Active-Site Models
Thomas Brunold
Inorganic Chemistry, 2016
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The mechanism of methane and dioxygen activation in the catalytic cycle of methane monooxygenase
Albert Shteinman
FEBS Letters, 1995
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Nuclear hyperfine coupling of nitrogen in the coordination sphere of the diiron center of methane monooxygenase hydroxylase
Jack Peisach
The Journal of Biological Chemistry, 1994
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Carboxylate as the Protonation Site in (Peroxo)diiron(III) Model Complexes of Soluble Methane Monooxygenase and Related Diiron Proteins
Pierre Moënne-Loccoz
Journal of the American Chemical Society, 2010
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Reactivity of methane mono-oxygenase, insights from quantum mechanic studies on synthetic iron model complexes
William Goddard
Journal of Molecular Catalysis A: Chemical, 2001
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Dioxygen Activation at Non-Heme Diiron Centers: Oxidation of a Proximal Residue in the I100W Variant of Toluene/ o -Xylene Monooxygenase Hydroxylase †
Roman Davydov
Biochemistry, 2007
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An abiotic analogue of the diiron(IV)oxo ‘‘diamond core’’ of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure
Leonardo Bernasconi, E. Baerends
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Theoretical Study of the Mechanism of Alkane Hydroxylation and Ethylene Epoxidation Reactions Catalyzed by Diiron Bis-oxo Complexes. The Effect of Substrate Molecules
Djamaladdin Musaev
Journal of the American Chemical Society, 2002
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Quantum-chemical study of the four-electron catalytic oxidation of water to dioxygen in the presence of dinuclear and tetranuclear hydroxide complexes of cobalt(III) and iron(III): Intermediates of the catalytic cycle and their relative energies
Valentin Parmon
Journal of Molecular Catalysis, 1994
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Interplay of Electronic Cooperativity and Exchange Coupling in Regulating the Reactivity of Diiron(IV)-oxo Complexes towards C-H and O-H Bond Activation
Asmita Singha, Dr. Mursaleem Ansari
Chemistry: A European Journal, 2017
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Dioxygen activation and bond cleavage by mixed-valence cytochrome c oxidase
Michelle Pressler
Proceedings of the …, 1998
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Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen : A Computational study
Valentin Georgiev
2009
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Insights into the P-to-Q conversion in the catalytic cycle of methane monooxygenase from a synthetic model system
Lawrence Que
Proceedings of the National Academy of Sciences, 2008
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The structure–activity relationships of methane mono-oxygenase mimics in alkane activation
William Goddard
Catalysis Today, 2003
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Further Evidence for Multiple Pathways in Soluble Methane-Monooxygenase-Catalysed Oxidations from the Measurement of Deuterium Kinetic Isotope Effects
Christopher Samuel
European Journal of Biochemistry, 1994
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Reactivity of Compound II: Electronic Structure Analysis of Methane Hydroxylation by Oxoiron(IV) Porphyrin Complexes
Angela Rosa
Inorganic Chemistry, 2012
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Intermediates in the oxygenation of a nonheme diiron(II) complex, including the first evidence for a bound superoxo species
Lawrence Que
Proceedings of the National Academy of Sciences, 2005
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O 2 Activation by Non-Heme Diiron Proteins: Identification of a Symmetric μ-1,2-Peroxide in a Mutant of Ribonucleotide Reductase †
Pierre Moënne-Loccoz
Biochemistry, 1998
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From activation of dioxygen to formation of high-valent oxo species: Ab initio DFT studies
Malgorzata Witko
Journal of Molecular Catalysis A: Chemical, 2007
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Moessbauer, EPR, and ENDOR studies of the hydroxylase and reductase components of methane monooxygenase from Methylosinus trichosporium OB3b
K Kristoffer Andersson
Journal of the American Chemical Society, 1993
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Hydroxylation Catalysis by Mononuclear and Dinuclear Iron Oxo Catalysts: a Methane Monooxygenase Model System versus the Fenton Reagent Fe IV O(H 2 O) 5 2+
Evert-jan Baerends
Inorganic Chemistry, 2012
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Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N -Donor Ligand H 2 BPG 2 DEV
Pierre Moënne-Loccoz
Journal of the American Chemical Society, 2009
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Spectroscopic properties of the hydroxylase of methane monooxygenase
ROGER PRINCE
Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, 1988
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De Novo Simulation and Spectroscopic Study of Iron Speciation in Micro-And Mesoporous Biomimetic Materials Active in the Selective Oxidation of Methane
Peter-Paul Knops-Gerrits
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DFT Mechanistic Insight into the Dioxygenase-like Reactivity of a CoIII-peroxo Complex: O–O Bond Cleavage via a [1,3]-Sigmatropic Rearrangement-like Mechanism
CHAOSHEN ZHANG
Inorganic Chemistry, 2020
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Ligation of the diiron site of the hydroxylase component of methane monooxygenase: An endor study
K Kristoffer Andersson
Journal of Inorganic Biochemistry, 1991
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Kinetics of oxygen-atom transfer reactions involving molybdenum dithiolene complexes
Christian Lorber
Journal of The Chemical Society-dalton Transactions, 1997
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Activation of Dioxygen by Iron and Manganese Complexes: A Heme and Nonheme Perspective
Sumit Kumar Sahu
Journal of the American Chemical Society, 2016
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Dioxygen Binding to Complexes with Fe II 2 (μ-OH) 2 Cores: Steric Control of Activation Barriers and O 2 Adduct Formation
Sanjay Mandal
Inorganic Chemistry, 2005
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Controlled Oxidation of Hydrocarbons by the Membrane-Bound Methane Monooxygenase: The Case for a Tricopper Cluster
Steve Yu
Accounts of Chemical Research, 2008
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Quantum mechanical/molecular mechanical study on the mechanisms of compound I formation in the catalytic cycle of chloroperoxidase: an overview on heme enzymes
K. Bebenek, Lalith Perera
The journal of physical chemistry. B, 2008
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