DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

Dioxygen Activation in Soluble Methane Monooxygenase

(2011) Christine E. Tinberg et al.   ACCOUNTS OF CHEMICAL RESEARCH

Hydroxylation Catalysis by Mononuclear and Dinuclear Iron Oxo Catalysts: a Methane Monooxygenase Model System versus the Fenton Reagent FeIVO(H2O)52+ 

(2011) G. Gopakumar et al.   INORGANIC CHEMISTRY

Substrate-Triggered Activation of a Synthetic [Fe2(μ-O)2] Diamond Core for C–H Bond Cleavage

(2011) Genqiang Xue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2010) David Balcells et al.   CHEMICAL REVIEWS

Theory of chemical bonds in metalloenzymes. XIV. Correspondence between magnetic coupling mode and radical coupling mechanism in hydroxylations with methane monooxygenase and related species

(2010) Toru Saito et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

Million-fold activation of the [Fe2(µ-O)2] diamond core for C–H bond cleavage

(2010) Genqiang Xue et al.   Nature Chemistry

Accurate Spin-State Energies for Iron Complexes

(2008) Marcel Swart   Journal of Chemical Theory and Computation

Quantum Chemical Approach to the Mechanism for the Biological Conversion of Tyrosine to Dopaquinone

(2008) Toshinori Inoue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gas-phase activation of methane by ligated transition-metal cations

(2008) D. Schroder et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA