Effects of Ligands, Cluster Size, and Charge State in Gas-Phase Catalysis: A Happy Marriage of Experimental and Computational Studies

Applications of Electrospray Ionization Mass Spectrometry in Mechanistic Studies and Catalysis Research

(2012) Detlef Schröder   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

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

Gas phase chemistry of neutral metal clusters: Distribution, reactivity and catalysis

(2012) Shi Yin et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Reactions of carbon monoxide with free palladium oxide clusters: strongly size dependent competition between adsorption and combustion

(2012) Sandra M. Lang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+

(2012) O. Lakuntza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Gas phase metal cluster model systems for heterogeneous catalysis

(2012) Sandra M. Lang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Catalytic Redox Reactions in the CO/N2O System Mediated by the Bimetallic Oxide-Cluster Couple AlVO3+/AlVO4+

(2011) Zhe-Chen Wang 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

CO Oxidation as a Prototypical Reaction for Heterogeneous Processes

(2011) Hans-Joachim Freund et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cluster Structure and Reactions: Gaining Insights into Catalytic Processes

(2011) A. W. Castleman   CATALYSIS LETTERS

Mechanistic Aspects and Elementary Steps of NH Bond Activation of Ammonia and CN Coupling Induced by Gas-Phase Ions: A Combined Experimental/Computational Exercise

(2011) Robert Kretschmer 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

Methane activation and partial oxidation on free gold and palladium clusters: Mechanistic insights into cooperative and highly selective cluster catalysis

(2011) Sandra M. Lang et al.   FARADAY DISCUSSIONS

Probing elementary steps of nickel-mediated bond activation in gas-phase reactions: Ligand- and cluster-size effects

(2011) Maria Schlangen et al.   JOURNAL OF CATALYSIS

Temperature-Tunable Selective Methane Catalysis on Au2+: From Cryogenic Partial Oxidation Yielding Formaldehyde to Cold Ethylene Production

(2011) Sandra M. Lang et al.   Journal of Physical Chemistry C

Insight into Solution Chemistry from Gas-Phase Experiments†

(2011) Divya Agrawal et al.   ORGANOMETALLICS

Characterization and reactivity of oxygen-centred radicals over transition metal oxide clusters

(2011) Yan-Xia Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the catalytic mechanism of Pt 4 +/− in the oxygen transport activation of N2O by CO

(2011) Lingling Lv et al.   THEORETICAL CHEMISTRY ACCOUNTS

“Rollover” cyclometalation – early history, recent developments, mechanistic insights and application aspects

(2011) Burkhard Butschke et al.   Chemical Science

Methane Activation and Catalytic Ethylene Formation on Free Au2+

(2010) Sandra M. Lang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal-dependent alternative activation of O–H and C–H bonds of methanol: on the formation and structure of “bare” [M,C,H3,O]+ complexes (M = Fe, Co, Ni) in the gas phase

(2010) Maria Schlangen et al.   CHEMICAL COMMUNICATIONS

Analysis of attainable reactor performance for the oxidative methane coupling process

(2010) S. Jašo et al.   CHEMICAL ENGINEERING SCIENCE

Room-temperature methane activation by a bimetallic oxide cluster AlVO4+

(2010) Zhe-Chen Wang et al.   CHEMICAL PHYSICS LETTERS

Hydrogen-Atom Abstraction from Methane by Stoichiometric Vanadium-Silicon Heteronuclear Oxide Cluster Cations

(2010) Xun-Lei Ding et al.   CHEMISTRY-A EUROPEAN JOURNAL

Conversion of Methane to Methanol: Nickel, Palladium, and Platinum (d9) Cations as Catalysts for the Oxidation of Methane by Ozone at Room Temperature

(2010) Andrea Božović et al.   CHEMISTRY-A EUROPEAN JOURNAL

DFT Study of the Structure and Reactivity of the Terminal Pt(IV)-Oxo Complex Bearing No Electron-Withdrawing Ligands

(2010) Irena Efremenko et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2010) Genqiang Xue et al.   Nature Chemistry

Methane activation by V3PO10˙+ and V4O10˙+ clusters: A comparative study

(2010) Jia-Bi Ma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Active sites of stoichiometric cerium oxide cations (CemO2m+) probed by reactions with carbon monoxide and small hydrocarbon molecules

(2010) Xiao-Nan Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalysis Science of Methanol Oxidation over Iron Vanadate Catalysts: Nature of the Catalytic Active Sites

(2010) Kamalakanta Routray et al.   ACS Catalysis

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

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

Clusters as model systems for investigating nanoscale oxidation catalysis

(2009) Grant E. Johnson et al.   CHEMICAL PHYSICS LETTERS

Selective Activation of Alkanes by Gas-Phase Metal Ions†

(2009) Jana Roithová et al.   CHEMICAL REVIEWS

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

(2009) Sason Shaik et al.   CHEMICAL REVIEWS

Methane Activation by Metal-Free Radical Cations: Experimental Insight into the Reaction Intermediate

(2009) Giulia de Petris et al.   CHEMISTRY-A EUROPEAN JOURNAL

Quantum chemical studies of C–H activation reactions by high-valent nonheme iron centers

(2009) Shengfa Ye et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Ligand and electronic-structure effects in metal-mediated gas-phase activation of methane: A cold approach to a hot problem

(2009) Maria Schlangen et al.   DALTON TRANSACTIONS

Mechanistic Aspects and Reaction Pathways for Oxidative Coupling of Methane on Mn/Na2WO4/SiO2 Catalysts

(2009) Kazuhiro Takanabe et al.   Journal of Physical Chemistry C

Hydrogen-Promoted Oxygen Activation by Free Gold Cluster Cations

(2009) Sandra M. Lang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Redox Non-Innocent Ligand Controls the Life Time of a Reactive Quartet Excited State - An MCSCF Study of [Ni(H)(OH)]+

(2009) Yavuz Dede et al.   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

Molecular Dynamics of Localized Reaction, Experiment and Theory: Methyl Bromide on Si(111)-7×7

(2008) Hong Guo et al.   ACS Nano

Reactions at Surfaces: From Atoms to Complexity (Nobel Lecture)

(2008) Gerhard Ertl   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Molecular Factors of Catalytic Selectivity

(2008) Gabor A. Somorjai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theory meets experiment: Gas-phase chemistry of coinage metals

(2008) Jana Roithová et al.   COORDINATION CHEMISTRY REVIEWS

Evolution of the surface science of catalysis from single crystals to metal nanoparticles under pressure

(2008) Gabor A. Somorjai et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements

(2008) Gianfranco Pacchioni   JOURNAL OF CHEMICAL PHYSICS

Stoichiometric Zirconium Oxide Cations as Potential Building Blocks for Cluster Assembled Catalysts

(2008) Grant E. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Influence of Charge State on the Mechanism of CO Oxidation on Gold Clusters

(2008) Christian Bürgel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cluster reactivity experiments: Employing mass spectrometry to investigate the molecular level details of catalytic oxidation reactions

(2008) G. E. Johnson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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