相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory
James M. Mayer
ACCOUNTS OF CHEMICAL RESEARCH (2011)
Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents
Sason Shaik et al.
NATURE CHEMISTRY (2011)
Unprecedented Rate Enhancements of Hydrogen-Atom Transfer to a Manganese(V)-Oxo Corrolazine Complex
Katharine A. Prokop et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Introduction: Proton-Coupled Electron Transfer
Sharon Hammes-Schiffer
CHEMICAL REVIEWS (2010)
C-H Bond Activations by Metal Oxo Compounds
Ahmet Gunay et al.
CHEMICAL REVIEWS (2010)
C-H Bond Activation in Transition Metal Species from a Computational Perspective
David Balcells et al.
CHEMICAL REVIEWS (2010)
Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
Jeffrey J. Warren et al.
CHEMICAL REVIEWS (2010)
Theory of Coupled Electron and Proton Transfer Reactions
Sharon Hammes-Schiffer et al.
CHEMICAL REVIEWS (2010)
The Importance of Precursor and Successor Complex Formation in a Bimolecular Proton-Electron Transfer Reaction
Elizabeth A. Mader et al.
INORGANIC CHEMISTRY (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Steric Factors Override Thermodynamic Driving Force in Regioselectivity of Proline Hydroxylation by Prolyl-4-hydroxylase Enzymes
Baharan Karamzadeh et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Trends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height
Sam P. de Visser
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Million-fold activation of the [Fe2(μ-O)2] diamond core for C-H bond cleavage
Genqiang Xue et al.
NATURE CHEMISTRY (2010)
Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics
Jonathan Rittle et al.
SCIENCE (2010)
A Synthetic High-Spin Oxoiron(IV) Complex: Generation, Spectroscopic Characterization, and Reactivity
Jason England et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
A Combined Theoretical and Experimental Study on the Role of Spin States in the Chemistry of Fe(CO)5 Photoproducts
Maria Besora et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Proton-Coupled Electron Transfer of Ruthenium(III)-Pterin Complexes: A Mechanistic Insight
Soushi Miyazaki et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Trends in Ground-State Entropies for Transition Metal Based Hydrogen Atom Transfer Reactions
Elizabeth A. Mader et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers
Christopher R. Waidmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Stable five- and six-coordinate cobalt(III) complexes with a pentadentate bispidine ligand
Peter Comba et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
The first crystal structure of a monomeric phenoxyl radical: 2,4,6-tri-tert-butylphenoxyl radical
Virginia W. Manner et al.
CHEMICAL COMMUNICATIONS (2008)
Electrochemical approach to the mechanistic study of proton-coupled electron transfer
Cyrille Costentin
CHEMICAL REVIEWS (2008)
A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme Fe-IV = O oxidants
Hajime Hirao et al.
CHEMISTRY-A EUROPEAN JOURNAL (2008)
Epoxidation and 1,2-dihydroxylation of alkenes by a nonheme iron model system - DFT supports the mechanism proposed by experiment
Peter Comba et al.
INORGANIC CHEMISTRY (2008)
A Rational Basis for the Axial Ligand Effect in C-H Oxidation by [MnO(porphyrin)(X)]+ (X = H2O, OH-, O2-) from a DFT Study
David Balcells et al.
INORGANIC CHEMISTRY (2008)
Accurate Spin-State Energies for Iron Complexes
Marcel Swart
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Hydrogen atom transfer reactions of iron-porphyrin-imidazole complexes as models for histidine-ligated heme reactivity
Jeffrey J. Warren et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Facile concerted proton-electron transfers in a ruthenium terpyridine-4′-carboxyl ate complex with a long distance between the redox and basic sites
Virginia W. Manner et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Hydrogen Atom Transfer Reactions of a Ruthenium Imidazole Complex: Hydrogen Tunneling and the Applicability of the Marcus Cross Relation
Adam Wu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
A unified perspective on the hydrogen atom transfer and proton-coupled electron transfer mechanisms in terms of topographic features of the ground and excited potential energy surfaces as exemplified by the reaction between phenol and radicals
Oksana Tishchenko et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
High turnover remote catalytic oxygenation of alkyl groups: How steric exclusion of unbound substrate contributes to high molecular recognition selectivity
Siddhartha Das et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Synthesis and characterization of ruthenium bis(β-diketonato) pyridine-imidazole complexes for hydrogen atom transfer
Adam Wu et al.
INORGANIC CHEMISTRY (2007)
Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction
Chivukula V. Sastri et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Substrate activation for O2 reactions by oxidized metal centers in biology
Monita Y. M. Pau et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
A predictably selective aliphatic C-H oxidation reaction for complex molecule synthesis
Mark S. Chen et al.
SCIENCE (2007)
Proton-coupled electron transfer
My Hang V. Huynh et al.
CHEMICAL REVIEWS (2007)
Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: A tale of many states
Sason Shaik et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Large ground-state entropy changes for hydrogen atom transfer reactions of iron complexes
Elizabeth A. Mader et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Spin-crossover in cobalt(II) imine complexes
Itana Krivokapic et al.
COORDINATION CHEMISTRY REVIEWS (2007)
Understanding the kinetics of spin-forbidden chemical reactions
Jeremy N. Harvey
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
What factors influence the ratio of C-H hydroxylation versus C=C epoxidation by a nonheme cytochrome P450 biomimetic?
Sam P. de Visser
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Resonance Raman spectroscopy of chloroperoxidase compound II provides direct evidence for the existence of an iron(IV)-hydroxide
Kari L. Stone et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Metals and their scaffolds to promote difficult enzymatic reactions
Stephen W. Ragsdale
CHEMICAL REVIEWS (2006)
Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes
Hajime Hirao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Direct hydrogen-atom abstraction by activated bleomycin: An experimental and computational study
A Decker et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
High-valent iron in chemical and biological oxidations
John T. Groves
JOURNAL OF INORGANIC BIOCHEMISTRY (2006)
Multifunctionality in spin crossover materials
AB Gaspar et al.
COORDINATION CHEMISTRY REVIEWS (2005)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
S Shaik et al.
CHEMICAL REVIEWS (2005)
Structure and chemistry of cytochrome P450
IG Denisov et al.
CHEMICAL REVIEWS (2005)
A theoretical study of the iminoxyl/oxime self-exchange reaction. A five-center, cyclic proton-coupled electron transfer
GA DiLabio et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Rate constants for reactions of phenoxyl radicals in solution
P Neta et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2005)
Homolytic C-H bond cleavage (H-atom transfer): chemistry for a paramount biological process
JL Pierre et al.
COMPTES RENDUS CHIMIE (2005)
Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes
B Meunier et al.
CHEMICAL REVIEWS (2004)
Stepwise and concerted electron-transfer/bond breaking reactions.: Solvent control of the existence of unstable π ion radicals and of the activation barriers of their heterolytic cleavage
C Costentin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Insights into the spin-forbidden reaction between L2Pd0 and molecular oxygen
CR Landis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Hydrogen atom transfer from iron(II)-tris[2,2′-bi(tetrahydropyrimidine)] to TEMPO:: A negative enthalpy of activation predicted by the Marcus equation
EA Mader et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Oxoiron(IV) in chloroperoxidase compound II is basic: Implications for P450 chemistry
MT Green et al.
SCIENCE (2004)
Symmetry and geometry considerations of atom transfer:: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph, tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-picoline), Ta; silox = tBu3SiO)
AS Veige et al.
INORGANIC CHEMISTRY (2003)
Oxidation mechanism of phenols by dicopper-dioxygen (Cu2/O2) complexes
T Osako et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Mechanistic studies on the hydroxylation of methane by methane monooxygenase
MH Baik et al.
CHEMICAL REVIEWS (2003)
Electron and hydrogen-atom self-exchange reactions of iron and cobalt coordination complexes
JC Yoder et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Understanding the reactivity of transition metal complexes involving multiple spin states
JN Harvey et al.
COORDINATION CHEMISTRY REVIEWS (2003)
The role of radicals in metal-assisted oxygenation reactions
C Limberg
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)
Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges
R Poli et al.
CHEMICAL SOCIETY REVIEWS (2003)
Six-coordinate Co2+ with H2O and NH3 ligands:: Which spin state is more stable?
AM Schmiedekamp et al.
INORGANIC CHEMISTRY (2002)
Proton-coupled electron transfer versus hydrogen atom transfer in benzyl/toluene, methoxyl/methanol, and phenoxyl/phenol self-exchange reactions
JM Mayer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Assertion and validation of the performance of the B3LYP☆ functional for the first transition metal row and the G2 test set
O Salomon et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
M Cossi et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Reduction of 1,4-quinone and ubiquinones by hydrogen atom transfer under UVA irradiation
C Biondi et al.
FREE RADICAL RESEARCH (2002)
Application of the Marcus cross relation to hydrogen atom transfer reactions
JP Roth et al.
SCIENCE (2001)
Intermediate Q from soluble methane monooxygenase hydroxylates the mechanistic substrate probe norcarane: Evidence for a stepwise reaction
BJ Brazeau et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Catalytic chain transfer in free-radical polymerizations
AA Gridnev et al.
CHEMICAL REVIEWS (2001)
Coupled electron-transfer and spin-exchange reactions
JW Turner et al.
COORDINATION CHEMISTRY REVIEWS (2001)
Spin crossover phenomena in Fe(II) complexes
P Gütlich et al.
CHEMICAL SOCIETY REVIEWS (2000)
A model rebound mechanism of hydroxylation by cytochrome P450: Stepwise and effectively concerted pathways, and their reactivity patterns
F Ogliaro et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Intrinsic barriers for electron and hydrogen atom transfer reactions of biomimetic iron complexes
JP Roth et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Two-state reactivity as a new concept in organometallic chemistry
D Schroder et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)