Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme MnIV/IIIO complexes: how important is the oxo ligand basicity in the C–H activation step?

Does Hydrogen-Bonding Donation to Manganese(IV)-Oxo and Iron(IV)-Oxo Oxidants Affect the Oxygen-Atom Transfer Ability? A Computational Study

(2013) Reza Latifi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates

(2013) Azaj Ansari et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton-Coupled Electron Transfer

(2012) David R. Weinberg et al.   CHEMICAL REVIEWS

A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent FeIVNTs species

(2012) Madhavan Jaccob et al.   DALTON TRANSACTIONS

Theoretical Investigations into C–H Bond Activation Reaction by Nonheme MnIVO Complexes: Multistate Reactivity with No Oxygen Rebound

(2012) Kyung-Bin Cho et al.   Journal of Physical Chemistry Letters

Metal complexes with varying intramolecular hydrogen bonding networks

(2012) David C. Lacy et al.   POLYHEDRON

Blended hydrogen atom abstraction and proton-coupled electron transfer mechanisms of closed-shell molecules

(2012) Chunsen Li et al.   Chemical Science

Manganese substituted Compound I of cytochrome P450 biomimetics: A comparative reactivity study of MnV-oxo versus MnIV-oxo species

(2011) Reza Latifi et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Role of metal–oxo complexes in the cleavage of C–H bonds

(2011) A. S. Borovik   CHEMICAL SOCIETY REVIEWS

Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature

(2011) Ryan L. Shook et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Energy decomposition analysis

(2011) Moritz von Hopffgarten et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

(2010) Katharine A. Prokop et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Fundamental Role of Exchange-Enhanced Reactivity in CH Activation by S=2 Oxo Iron(IV) Complexes

(2010) Deepa Janardanan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

C−H Bond Activations by Metal Oxo Compounds

(2010) Ahmet Gunay et al.   CHEMICAL REVIEWS

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

(2010) David Balcells et al.   CHEMICAL REVIEWS

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

(2010) Jeffrey J. Warren et al.   CHEMICAL REVIEWS

Manganese Catalysts for C−H Activation: An Experimental/Theoretical Study Identifies the Stereoelectronic Factor That Controls the Switch between Hydroxylation and Desaturation Pathways

(2010) Jonathan F. Hull et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical and Experimental Studies of the Conversion of Chromopyrrolic Acid to an Antitumor Derivative by Cytochrome P450 StaP: The Catalytic Role of Water Molecules

(2009) Yong Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C−H Bond Cleavage with Reductants: Re-Investigating the Reactivity of Monomeric MnIII/IV−Oxo Complexes and the Role of Oxo Ligand Basicity

(2009) Trenton H. Parsell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electron Transfer Activation of Chromopyrrolic Acid by Cytochrome P450 En Route to the Formation of an Antitumor Indolocarbazole Derivative: Theory Supports Experiment

(2008) Yong Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2008) Oksana Tishchenko et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY