Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way

C–H Bond Activation by Oxygen-Centered Radicals over Atomic Clusters

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Reply

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Comment on “A Low-Spin Ruthenium(IV)-Oxo Complex: Does the Spin State Have an Impact on the Reactivity”

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Classical Valence Bond Approach by Modern Methods

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Simple Marcus-Theory-Type Model for Hydrogen-Atom Transfer/Proton-Coupled Electron Transfer

(2011) James M. Mayer   Journal of Physical Chemistry Letters

Structure of the Oxygen-Rich Cluster Cation Al2O7+and its Reactivity toward Methane and Water

(2011) Zhe-Chen Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state

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Spin-forbidden hydrogen atom transfer reactions in a cobalt biimidazoline system

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The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs

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Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory

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A Low-Spin Ruthenium(IV)-Oxo Complex: Does the Spin State Have an Impact on the Reactivity?

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Unprecedented Rate Enhancements of Hydrogen-Atom Transfer to a Manganese(V)-Oxo Corrolazine Complex

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C−H Bond Activations by Metal Oxo Compounds

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C—H Bond Activation in Transition Metal Species from a Computational Perspective

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Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

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Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

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Room-Temperature CH Bond Activation of Methane by Bare [P4O10].+

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QM/MM Methods for Biomolecular Systems

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(2009) Paul R. Ortiz de Montellano   CHEMICAL REVIEWS

C−H Bond Activation and Organometallic Intermediates on Isolated Metal Centers on Oxide Surfaces

(2009) Christophe Coperet   CHEMICAL REVIEWS

Selective Activation of Alkanes by Gas-Phase Metal Ions†

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P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

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Origin of the Correlation of the Rate Constant of Substrate Hydroxylation by Nonheme Iron(IV)-oxo Complexes with the Bond-Dissociation Energy of the CH Bond of the Substrate

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Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

(2009) Edward I Solomon et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

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Slow Hydrogen Atom Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers

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Trends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height

(2009) Sam P. de Visser   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activation of X–H and X–D bonds (X = O, N, C) by alkaline-earth metal monoxide cations: experiment and theory

(2009) Andrea Božović et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Rational Basis for the Axial Ligand Effect in C−H Oxidation by [MnO(porphyrin)(X)]+(X = H2O, OH−, O2−) from a DFT Study

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Bonded Exciplex Formation: Electronic and Stereoelectronic Effects†

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A Valence Bond Modeling of Trends in Hydrogen Abstraction Barriers and Transition States of Hydroxylation Reactions Catalyzed by Cytochrome P450 Enzymes

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Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

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