Distinct Mechanistic Differences in the Hydrogen-Atom Transfer from Methane and Water by the Heteronuclear Oxide Cluster [Ga2MgO4].+

On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5].+in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect

(2015) Jilai Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Doping Effects in Cluster-Mediated Bond Activation

(2015) Helmut Schwarz   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO3+Cluster Cations

(2015) Li-Na Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Methane Activation by Heterogeneous Catalysis

(2014) Raimund Horn et al.   CATALYSIS LETTERS

Artificial Photosynthesis: Molecular Systems for Catalytic Water Oxidation

(2014) Markus D. Kärkäs et al.   CHEMICAL REVIEWS

Thermal Methane Activation by La6O10−Cluster Anions

(2014) Jing-Heng Meng et al.   CHEMISTRY-A EUROPEAN JOURNAL

Thermal Ethane Activation by Bare [V2O5]+and [Nb2O5]+Cluster Cations: on the Origin of Their Different Reactivities

(2014) Xiao-Nan Wu et al.   CHEMISTRY-A EUROPEAN JOURNAL

How and Why Do Cluster Size, Charge State, and Ligands Affect the Course of Metal-Mediated Gas-Phase Activation of Methane?

(2014) Helmut Schwarz   ISRAEL JOURNAL OF CHEMISTRY

Benchmark Study on Methanol C–H and O–H Bond Activation by Bare [FeIVO]2+

(2014) Xianhui Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Large Equatorial Ligand Effects on C–H Bond Activation by Nonheme Iron(IV)-oxo Complexes

(2014) Xiaoli Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Methane Coupling over Magnesium Oxide: How Doping Can Work

(2013) Pierre Schwach et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isomer-Selective Thermal Activation of Methane in the Gas Phase by [HMO]+and [M(OH)]+(M=Ti and V)

(2013) Robert Kretschmer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Gas-Phase Reactions of Cationic Vanadium-Phosphorus Oxide Clusters with C2Hx(x=4, 6): A DFT-Based Analysis of Reactivity Patterns

(2013) Nicolas Dietl et al.   CHEMISTRY-A EUROPEAN JOURNAL

Thermal Methane Activation by a Binary V-Nb Transition-Metal Oxide Cluster Cation: A Further Example for the Crucial Role of Oxygen-Centered Radicals

(2013) Zhe-Chen Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Large Density-Functional and Basis-Set Effects for the DMSO Reductase Catalyzed Oxo-Transfer Reaction

(2013) Ji-Lai Li et al.   Journal of Chemical Theory and Computation

Do spin state and spin density affect hydrogen atom transfer reactivity?

(2013) Caroline T. Saouma et al.   Chemical Science

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

(2012) David Cappelletti et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

(2012) Wenzhen Lai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermal Reactions of YAlO3+.with Methane: Increasing the Reactivity of Y2O3+.and the Selectivity of Al2O3+.by Doping

(2012) Jia-Bi Ma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the Origin of the Surprisingly Sluggish Redox Reaction of the N2O/CO Couple Mediated by [Y2O2]+.and [YAlO2]+.Cluster Ions in the Gas Phase

(2012) Jia-Bi Ma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Direct Conversion of Methane into Formaldehyde Mediated by [Al2O3].+ at Room Temperature

(2012) Zhe-Chen Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermal Hydrogen-Atom Transfer from Methane: The Role of Radicals and Spin States in Oxo-Cluster Chemistry

(2012) Nicolas Dietl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIII═O]+: Explicit Electronic Structure Analysis

(2012) Xiao-Li Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Study of the Reactions between Vanadium Oxide Cluster Cations and Water

(2012) Jia-Bi Ma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions

(2011) Nicolas Dietl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Diatomic [CuO]+ and Its Role in the Spin-Selective Hydrogen- and Oxygen-Atom Transfers in the Thermal Activation of Methane

(2011) Nicolas Dietl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Chemistry with Methane: Concepts Rather than Recipes

(2011) Helmut Schwarz   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lithium as a Modifier for Morphology and Defect Structure of Porous Magnesium Oxide Materials Prepared by Gel Combustion Synthesis

(2011) Ulyana Zavyalova et al.   ChemCatChem

Directed, Remote Gas-Phase CH and CC Bond Activations by Metal Oxide Cations Anchored to a Nitrile Group

(2011) Nicolas Dietl et al.   CHEMISTRY-A EUROPEAN JOURNAL

Thermal Activation of Methane and Ethene by Bare MO.+ (M=Ge, Sn, and Pb): A Combined Theoretical/Experimental Study

(2011) Kai Chen et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Mechanism of benzenehydroxylation by high-valent bare FeivO2+: explicit electronic structure analysis

(2011) Ji-Lai Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory

(2010) James M. Mayer   ACCOUNTS OF CHEMICAL RESEARCH

Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)-Oxo Complexes

(2010) Caiyun Geng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Morphology and Microstructure of Li/MgO Catalysts for the Oxidative Coupling of Methane

(2010) Ulyana Zavyalova et al.   ChemCatChem

The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis

(2010) Holger Dau et al.   ChemCatChem

G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2)

(2010) Bun Chan et al.   Journal of Chemical Theory and Computation

Bonding in cationic MOH n + (M = K − La, Hf − Rn; n = 0–2): DFT performances and periodic trends

(2010) Xinhao Zhang et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2009) Nicolas Dietl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective Activation of Alkanes by Gas-Phase Metal Ions†

(2009) Jana Roithová et al.   CHEMICAL REVIEWS

Complementary Active Sites Cause Size-Selective Reactivity of Aluminum Cluster Anions with Water

(2009) P. J. Roach et al.   SCIENCE

Activation of Methane by Oligomeric (Al2O3)x+ (x=3,4,5): The Role of Oxygen-Centered Radicals in Thermal Hydrogen-Atom Abstraction

(2008) Sandra Feyel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Gas-Phase Chemistry of Vanadium Oxide Cluster Cations VmOn+(m= 1-4;n= 1-10) with Water and Molecular Oxygen

(2008) Sandra Feyel et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Chemical Recycling of Carbon Dioxide to Methanol and Dimethyl Ether: From Greenhouse Gas to Renewable, Environmentally Carbon Neutral Fuels and Synthetic Hydrocarbons

(2008) George A. Olah et al.   JOURNAL OF ORGANIC CHEMISTRY