The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions

Bent and planar structures of μ–η2:η2-N2dinuclear early transition metal complexes

(2014) Xuelu Ma et al.   DALTON TRANSACTIONS

Asymmetric Hydroformylation Catalyzed by RhH(CO)2[(R,S)-Yanphos]: Mechanism and Origin of Enantioselectivity

(2014) Ming Lei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Catalytic Mechanisms of Direct Pyrrole Synthesis via Dehydrogenative Coupling Mediated by PNP-Ir or PNN-Ru Pincer Complexes: Crucial Role of Proton-Transfer Shuttles in the PNP-Ir System

(2014) Shuanglin Qu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A theoretical study on the mechanisms of intermolecular hydroacylation of aldehyde catalyzed by neutral and cationic rhodium complexes

(2014) Min Wang et al.   Science China-Chemistry

Mechanistic Insights into Ruthenium-Catalyzed Production of H2 and CO2 from Methanol and Water: A DFT Study

(2014) Xinzheng Yang   ACS Catalysis

Selective Hydrogen Production from Methanol with a Defined Iron Pincer Catalyst under Mild Conditions

(2013) Elisabetta Alberico et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rhodium-Catalyzed Ketone Methylation Using Methanol Under Mild Conditions: Formation of α-Branched Products

(2013) Louis K. M. Chan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen storage: beyond conventional methods

(2013) Andrew F. Dalebrook et al.   CHEMICAL COMMUNICATIONS

Efficient Hydrogen Liberation from Formic Acid Catalyzed by a Well-Defined Iron Pincer Complex under Mild Conditions

(2013) Thomas Zell et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanism of the Formation of Carboxylate from Alcohols and Water Catalyzed by a Bipyridine-Based Ruthenium Complex: A Computational Study

(2013) Haixia Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Practical Selective Hydrogenation of α-Fluorinated Esters with Bifunctional Pincer-Type Ruthenium(II) Catalysts Leading to Fluorinated Alcohols or Fluoral Hemiacetals

(2013) Takashi Otsuka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions

(2013) Guoqi Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A step closer to a methanol economy

(2013) Douglas W. Stephan   NATURE

Low-temperature aqueous-phase methanol dehydrogenation to hydrogen and carbon dioxide

(2013) Martin Nielsen et al.   NATURE

Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source

(2013) Ekambaram Balaraman et al.   Nature Chemistry

N-Formylation of Amines by Methanol Activation

(2013) Nuria Ortega et al.   ORGANIC LETTERS

Mechanistic Studies on the Carboxylation of Hafnocene and ansa-Zirconocene Dinitrogen Complexes with CO2

(2013) Xuelu Ma et al.   ORGANOMETALLICS

Amine(imine)diphosphine Iron Catalysts for Asymmetric Transfer Hydrogenation of Ketones and Imines

(2013) W. Zuo et al.   SCIENCE

Applications of Acceptorless Dehydrogenation and Related Transformations in Chemical Synthesis

(2013) C. Gunanathan et al.   SCIENCE

A Self-Promotion Mechanism for Efficient Dehydrogenation of Ethanol Catalyzed by Pincer Ruthenium and Iron Complexes: Aliphatic versus Aromatic Ligands

(2013) Xinzheng Yang   ACS Catalysis

Towards a Green Process for Bulk-Scale Synthesis of Ethyl Acetate: Efficient Acceptorless Dehydrogenation of Ethanol

(2012) Martin Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From Esters to Alcohols and Back with Ruthenium and Osmium Catalysts

(2012) Denis Spasyuk et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic Hydrogenation of Cyclic Carbonates: A Practical Approach from CO2and Epoxides to Methanol and Diols

(2012) Zhaobin Han et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

(2012) Ting Fan et al.   CHEMICAL COMMUNICATIONS

Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH2(binap)(cydn) complex: insights from a computational study

(2012) Ran Feng et al.   DALTON TRANSACTIONS

Computational Mechanistic Study of the Hydrogenation of Carbonate to Methanol Catalyzed by the RuIIPNN Complex

(2012) Haixia Li et al.   INORGANIC CHEMISTRY

Reversible hydrogen storage using CO2 and a proton-switchable iridium catalyst in aqueous media under mild temperatures and pressures

(2012) Jonathan F. Hull et al.   Nature Chemistry

Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study

(2012) Xin Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO assisted N2functionalization activated by a dinuclear hafnium complex: a DFT mechanistic exploration

(2012) Xuelu Ma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metal–Ligand Cooperation by Aromatization–Dearomatization: A New Paradigm in Bond Activation and “Green” Catalysis

(2011) Chidambaram Gunanathan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Insights into Dehydrogenative Coupling of Alcohols and Amines Catalyzed by a (PNN)–Ru(II) Hydride Complex: Unusual Metal–Ligand Cooperation

(2011) Guixiang Zeng et al.   INORGANIC CHEMISTRY

Iridium-catalysed direct C–C coupling of methanol and allenes

(2011) Joseph Moran et al.   Nature Chemistry

On the “Reverse Gear”Mechanism of the Reversible Dehydrogenation/Hydrogenation of a Nitrogen Heterocycle Catalyzed by a Cp*Ir Complex: A Computational Study

(2011) Haixia Li et al.   ORGANOMETALLICS

Computational Study on the Catalytic Role of Pincer Ruthenium(II)-PNN Complex in Directly Synthesizing Amide from Alcohol and Amine: The Origin of Selectivity of Amide over Ester and Imine

(2011) Haixia Li et al.   ORGANOMETALLICS

A theoretical study of X ligand effect on catalytic activity of complexes RuHX(diamine)(PPh3)2 (X = NCMe, CO, Cl, OMe, OPh, CCMe and H) in H2-hydrogenation of ketones

(2010) Zhuo Chen et al.   DALTON TRANSACTIONS

Mechanism for the Light-Induced O2Evolution from H2O Promoted by Ru(II) PNN Complex: A DFT Study

(2010) Yue Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

N−H Activation of Amines and Ammonia by Ru via Metal−Ligand Cooperation

(2010) Eugene Khaskin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Catalytic Role of N-Heterocyclic Carbene in a Metal-Free Conversion of Carbon Dioxide into Methanol: A Computational Mechanism Study

(2010) Fang Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

“Long-Range” Metal−Ligand Cooperation in H2Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium−Acridine Pincer Complex

(2010) Chidambaram Gunanathan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dehydrogenation as a Substrate-Activating Strategy in Homogeneous Transition-Metal Catalysis

(2009) Graham E. Dobereiner et al.   CHEMICAL REVIEWS

A comparative study on the hydrogenation of ketones catalyzed by diphosphine–diamine transition metal complexes using DFT method

(2009) Yue Chen et al.   DALTON TRANSACTIONS

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Consecutive Thermal H2and Light-Induced O2Evolution from Water Promoted by a Metal Complex

(2009) Stephan W. Kohl et al.   SCIENCE

Transition metal catalysed reactions of alcohols using borrowing hydrogen methodology

(2008) Tracy D. Nixon et al.   DALTON TRANSACTIONS

“Green” path from fossil-based to hydrogen economy: An overview of carbon-neutral technologies

(2008) N MURADOV et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Nature of Asynchronous Hydrogen Transfer in Ketone Hydrogenation Catalyzed by Ru Complex

(2008) Yue Chen et al.   Journal of Physical Chemistry C

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS