Hydroxylation mechanism of methane and its derivatives over designed methane monooxygenase model with peroxo dizinc core

QM/MM Studies of the Matrix Metalloproteinase 2 (MMP2) Inhibition Mechanism of (S)-SB-3CT and its Oxirane Analogue

(2010) Jia Zhou et al.   Journal of Chemical Theory and Computation

THEORETICAL STUDY ON METHANE HYDROXYLATION BY MIMIC METHANE MONOOXYGENASE WITH bis(μ-OXO)DIMANGANESE CORE

(2010) JIAN XU et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The Steric Nature of the Bite Angle

(2009) Willem-Jan van Zeist et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Understanding the mechanism of polar Diels–Alder reactions

(2009) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Structural Model Studies for the Peroxo Intermediate P and the Reaction Pathway from P → Q of Methane Monooxygenase Using Broken-Symmetry Density Functional Calculations

(2008) Wen-Ge Han et al.   INORGANIC CHEMISTRY

Comparison of the Reactivity of Bis(μ-oxo)CuIICuIIIand CuIIICuIIISpecies to Methane

(2008) Yoshihito Shiota et al.   INORGANIC CHEMISTRY

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

Selective oxidation of methane by molecular oxygen catalyzed by a bridged binuclear ruthenium complex at moderate pressures and ambient temperature

(2008) Munir D. Khokhar et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL