π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity.
about
Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.Excited state potential energy surfaces and their interactions in Fe(IV)=O active sitesHigh-Valent Nonheme Iron Oxidants in Biology: Lessons from Synthetic Fe(IV)=O Complexes.High-spin Mn-oxo complexes and their relevance to the oxygen-evolving complex within photosystem II.Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes.Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction ReactivityFenton chemistry at aqueous interfaces.Geometric and electronic structure contributions to function in non-heme iron enzymes.Mono- and binuclear non-heme iron chemistry from a theoretical perspective.O-H Activation by an Unexpected Ferryl Intermediate during Catalysis by 2-Hydroxyethylphosphonate Dioxygenase.Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants.Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.Structural and Spectroscopic Characterization of a High-Spin {FeNO}(6) Complex with an Iron(IV)-NO(-) Electronic Structure.Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach.Direct observation of a nonheme iron(IV)-oxo complex that mediates aromatic C-F hydroxylation.O2 Activation by Non-Heme Iron Enzymes.Identification of a Stable ZnII -Oxyl Species Produced in an MFI Zeolite and Its Reversible Reactivity with O2 at Room Temperature.A diiron(III,IV) imido species very active in nitrene-transfer reactions.On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study.
P2860
Q34009113-4C2EF613-E019-4A91-A244-0F4A4EA76800Q34498588-39732413-B35F-40F7-86BB-36F655CA298BQ35067238-45DF728F-C302-4B83-AF1A-FB7A9A5EA4BDQ35567137-316DA4B9-6E4F-421F-B542-8E7D925EE3DAQ36093562-0DC53180-8D1F-4503-A0AB-CE0A19E7E9A9Q37052683-56A9B3ED-1A65-496F-88CC-EE1C0F7A00CFQ37495159-891F1887-B261-4162-9FBF-2B6F266C9D4CQ37528070-CB8637F6-24E1-4920-8CCA-CF5945EC5C79Q38845297-848DB49E-D970-4866-92C5-1BB38C068BBEQ39018157-3091A3DE-6C84-46C1-959B-E863C419B0B2Q39078942-5D8FC2A8-1F0B-469E-9A03-E9A3167BE087Q39363247-B93D4280-9A0E-45AF-9BF8-91C63D3BEFD1Q39833589-3467EFED-7221-4DCA-A944-EDB6072221A2Q41978216-11592533-53BE-44C5-9520-B452741FFCB1Q42547485-C9B00A16-1074-45BA-A845-CC1E6189094BQ43534168-26F7F275-CAA7-4724-8FCA-78E1DF8D3BD6Q46351984-51D16638-1840-4C40-998B-990B53933708Q46946611-9A0AACA5-53CD-42D8-9EC6-2E1F3241AEDBQ55405591-9E3A1312-8FBF-4B6A-A70C-434D3DB872E3
P2860
π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
π-Frontier molecular orbitals ...... r contributions to reactivity.
@ast
π-Frontier molecular orbitals ...... r contributions to reactivity.
@en
type
label
π-Frontier molecular orbitals ...... r contributions to reactivity.
@ast
π-Frontier molecular orbitals ...... r contributions to reactivity.
@en
prefLabel
π-Frontier molecular orbitals ...... r contributions to reactivity.
@ast
π-Frontier molecular orbitals ...... r contributions to reactivity.
@en
P2093
P2860
P356
P1476
π-Frontier molecular orbitals ...... r contributions to reactivity.
@en
P2093
Jason England
Lawrence Que
Martin Srnec
Shaun D Wong
P2860
P304
14326-14331
P356
10.1073/PNAS.1212693109
P407
P577
2012-08-20T00:00:00Z