Carboxylation of Arene CH Bonds with CO2: A DFT-Based Approach to Catalyst Design

Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge?

(2011) Mirza Cokoja et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Theoretical Study of Hydrogen Transfer Catalyzed by an IrIIIPC(sp3)P Pincer Complex

(2011) Sebastian Kozuch et al.   ChemCatChem

What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki–Miyaura reaction

(2011) Sebastian Kozuch et al.   CHEMICAL COMMUNICATIONS

Carboxylate-Assisted Transition-Metal-Catalyzed C−H Bond Functionalizations: Mechanism and Scope

(2011) Lutz Ackermann   CHEMICAL REVIEWS

Transition-metal-catalyzed C–C bond formation through the fixation of carbon dioxide

(2011) Kun Huang et al.   CHEMICAL SOCIETY REVIEWS

CO2 Insertion into Metal-Carbon Bonds: A Computational Study of RhI Pincer Complexes

(2011) Thomas G. Ostapowicz et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Rate-Determining Step is Dead. Long Live the Rate-Determining State!

(2011) Sebastian Kozuch et al.   CHEMPHYSCHEM

Chemical Technologies for Exploiting and Recycling Carbon Dioxide into the Value Chain

(2011) Martina Peters et al.   ChemSusChem

What Makes for a Bad Catalytic Cycle? A Theoretical Study on the Suzuki−Miyaura Reaction within the Energetic Span Model

(2011) Sebastian Kozuch et al.   ACS Catalysis

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

State-of-the-Art Catalysts for Hydrogenation of Carbon Dioxide

(2010) Christopher Federsel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CH Bond Functionalization in Water Catalyzed by Carboxylato Ruthenium(II) Systems

(2010) Percia B. Arockiam et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Copper-Catalyzed Direct Carboxylation of CH Bonds with Carbon Dioxide

(2010) Liang Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Carboxylation of NH/CH Bonds Using N-Heterocyclic Carbene Copper(I) Complexes

(2010) Ine I. F. Boogaerts et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Direct C–H carboxylation with complexes of the coinage metals

(2010) Ine I. F. Boogaerts et al.   CHEMICAL COMMUNICATIONS

Recent developments in carbon dioxide utilization under mild conditions

(2010) Siti Nurhanna Riduan et al.   DALTON TRANSACTIONS

Chemistry of Carbon Dioxide Relevant to Its Utilization: A Personal Perspective

(2010) Donald J. Darensbourg   INORGANIC CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Automatic analysis of computed catalytic cycles

(2010) Andreas Uhe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Defining the optimal inductive and steric requirements for a cross-coupling catalyst using the energetic span model☆

(2010) Sebastian Kozuch et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Proton-Catalyzed Hydrogenation of a d8Ir(I) Complex Yields atransIr(III) Dihydride

(2010) Michael Findlater et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carboxylation of C−H Bonds UsingN-Heterocyclic Carbene Gold(I) Complexes

(2010) Ine I. F. Boogaerts et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium(I)-Catalyzed Direct Carboxylation of Arenes with CO2via Chelation-Assisted C−H Bond Activation

(2010) Hajime Mizuno et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes

(2010) Michael P. Boone et al.   ORGANOMETALLICS

Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels

(2009) Amanda J. Morris et al.   ACCOUNTS OF CHEMICAL RESEARCH

Metal-Catalyzed Carboxylation of Organometallic Reagents with Carbon Dioxide

(2009) Arkaitz Correa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ruthenium-Catalyzed Regioselective Direct Alkylation of Arenes with Unactivated Alkyl Halides through CH Bond Cleavage

(2009) Lutz Ackermann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

C−H Activation for the Construction of C−B Bonds

(2009) Ibraheem A. I. Mkhalid et al.   CHEMICAL REVIEWS

Noncovalent Interactions in a Transition-Metal Triphenylphosphine Complex: a Density Functional Case Study†

(2009) Nicolas Sieffert et al.   INORGANIC CHEMISTRY

Investigations of Iridium-Mediated Reversible C−H Bond Cleavage: Characterization of a 16-Electron Iridium(III) Methyl Hydride Complex

(2009) Wesley H. Bernskoetter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium-Catalyzed Direct Carboxylation of Aryl Bromides with Carbon Dioxide

(2009) Arkaitz Correa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2)

(2009) Olivia R. Allen et al.   ORGANOMETALLICS

Hydrogenation of Carbon Dioxide Catalyzed by Ruthenium Trimethylphosphine Complexes: A Mechanistic Investigation Using High-Pressure NMR Spectroscopy

(2009) April D. Getty et al.   ORGANOMETALLICS

Theoretical Analysis of the Catalytic Cycle of a Nickel Cross-Coupling Process: Application of the Energetic Span Model

(2009) Sebastian Kozuch et al.   ORGANOMETALLICS

Factors Controlling the Selective Hydroformylation of Internal Alkenes to Linear Aldehydes. 1. The Isomerization Step

(2009) Maria Àngels Carvajal et al.   ORGANOMETALLICS

Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles

(2009) Hiyam Salem et al.   ORGANOMETALLICS

Modularly Designed Transition Metal PNP and PCP Pincer Complexes based on Aminophosphines: Synthesis and Catalytic Applications

(2008) David Benito-Garagorri et al.   ACCOUNTS OF CHEMICAL RESEARCH

Carboxylation of Organoboronic Esters Catalyzed by N‐Heterocyclic Carbene Copper(I) Complexes

(2008) Takeshi Ohishi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Carboxylic Acids as Substrates in Homogeneous Catalysis

(2008) Lukas J. Gooßen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ruthenium Dihydrogen Complex for C–H Activation: Catalytic H/D Exchange under Mild Conditions

(2008) Martin H. G. Prechtl et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Kinetic-Quantum Chemical Model for Catalytic Cycles: The Haber−Bosch Process and the Effect of Reagent Concentration

(2008) Sebastian Kozuch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Transition State Energy Decomposition Study of Acetate-Assisted and Internal Electrophilic Substitution C−H Bond Activation by (acac-O,O)2Ir(X) Complexes (X = CH3COO, OH)

(2008) Daniel H. Ess et al.   ORGANOMETALLICS

Structure and Reactivity of Rhodium(I) Complexes Based on Electron-Withdrawing Pyrrolyl-PCP-Pincer Ligands

(2008) Elizaveta Kossoy et al.   ORGANOMETALLICS