Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations.
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Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxBEnzymatic oxidation of methaneRevisiting the mechanism of dioxygen activation in soluble methane monooxygenase from M. capsulatus (Bath): evidence for a multi-step, proton-dependent reaction pathway.Oxidation reactions performed by soluble methane monooxygenase hydroxylase intermediates H(peroxo) and Q proceed by distinct mechanismsDioxygen activation in soluble methane monooxygenaseInsights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylasesModeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand.Structure of the key species in the enzymatic oxidation of methane to methanolProtonation of a peroxodiiron(III) complex and conversion to a diiron(III/IV) intermediate: implications for proton-assisted O-O bond cleavage in nonheme diiron enzymes.CD and MCD studies of the effects of component B variant binding on the biferrous active site of methane monooxygenase.A tale of two methane monooxygenases.Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states.Quantum cluster size and solvent polarity effects on the geometries and Mössbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study.Structural differences between the active sites of the Ni-A and Ni-B states of the [NiFe] hydrogenase: an approach by quantum chemistry and single crystal ENDOR spectroscopy.On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory.DFT calculations of comparative energetics and ENDOR/Mössbauer properties for two protonation states of the iron dimer cluster of ribonucleotide reductase intermediate X.The prediction of Fe Mössbauer parameters by the density functional theory: a benchmark study.DFT calculations for intermediate and active states of the diiron center with a tryptophan or tyrosine radical in Escherichia coli ribonucleotide reductaseInsights into the P-to-Q conversion in the catalytic cycle of methane monooxygenase from a synthetic model system.Unprecedented (μ-1,1-Peroxo)diferric Structure for the Ambiphilic Orange Peroxo Intermediate of the Nonheme N-Oxygenase CmlI.Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes.O-O bond formation mediated by a hexanuclear iron complex supported on a stannoxane core.Hydroxylation mechanism of methane and its derivatives over designed methane monooxygenase model with peroxo dizinc core.New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses
P2860
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P2860
Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh
2008年學術文章
@zh-hant
name
Structural model studies for t ...... nsity functional calculations.
@en
Structural model studies for t ...... nsity functional calculations.
@nl
type
label
Structural model studies for t ...... nsity functional calculations.
@en
Structural model studies for t ...... nsity functional calculations.
@nl
prefLabel
Structural model studies for t ...... nsity functional calculations.
@en
Structural model studies for t ...... nsity functional calculations.
@nl
P356
P1433
P1476
Structural model studies for t ...... nsity functional calculations.
@en
P2093
Louis Noodleman
Wen-Ge Han
P304
P356
10.1021/IC701194B
P407
P577
2008-04-01T00:00:00Z