Mechanism of iridium-catalysed branched-selective hydroarylation of vinyl ethers: a computational study

Mechanism and Origins of Ligand-Controlled Linear Versus Branched Selectivity of Iridium-Catalyzed Hydroarylation of Alkenes

(2016) Genping Huang et al.   ACS Catalysis

Very Important Publication: Iridium-Catalyzed Intramolecular Enantioselective CH Alkylation at the C-2 Position ofN-Alkenylindoles

(2015) Takanori Shibata et al.   ADVANCED SYNTHESIS & CATALYSIS

Cationic Iridium/S-Me-BIPAM-Catalyzed Direct Asymmetric Intermolecular Hydroarylation of Bicycloalkenes

(2015) Tomohiko Shirai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanism and Selectivity in Rhodium-Catalyzed [7 + 2] Cycloaddition and Cyclopropanation/Cyclization of Allenylcyclopentane-alkynes: Metallacycle-Directed C(sp3)-C(sp3) vs C(sp3)-H Activation

(2015) Genping Huang   JOURNAL OF ORGANIC CHEMISTRY

Theoretical Study of Mechanism and Stereoselectivity of Catalytic Kinugasa Reaction

(2015) Stefano Santoro et al.   JOURNAL OF ORGANIC CHEMISTRY

Origins of Stereoselectivity in Intramolecular Aldol Reactions Catalyzed by Cinchona Amines

(2015) Yu-hong Lam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iridium-Catalyzed Branch-Selective Hydroarylation of Vinyl Ethers via C–H Bond Activation

(2015) Yusuke Ebe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Rhodium-Catalyzed Cyclopropanation/Cyclization of Allenynes

(2015) Genping Huang   ORGANIC LETTERS

Controlling the Selectivity of C–H Activation in Pyridinium Triazolylidene Iridium Complexes: Mechanistic Details and Influence of Remote Substituents

(2015) Kate F. Donnelly et al.   ORGANOMETALLICS

Mechanism, reactivity, and selectivity of the iridium-catalyzed C(sp3)–H borylation of chlorosilanes

(2015) Genping Huang et al.   Chemical Science

A DFT Study on Rh-Catalyzed Asymmetric Dearomatization of 2-Naphthols Initiated with C–H Activation: A Refined Reaction Mechanism and Origins of Multiple Selectivity

(2015) Chao Zheng et al.   ACS Catalysis

Computational Exploration of Mechanism and Selectivities of (NHC)Nickel(II)hydride-Catalyzed Hydroalkenylations of Styrene with α-Olefins

(2015) Xin Hong et al.   ACS Catalysis

Mechanistic Insight into the Gold-Catalyzed Carboxylative Cyclization of Propargylamines

(2015) Ruming Yuan et al.   ACS Catalysis

Mechanism and Origins of Selectivities in the Copper-Catalyzed Dearomatization-Induced ortho C–H Cyanation of Vinylarenes

(2015) Yang Yang et al.   ACS Catalysis

Cationic iridium-catalyzed C–H alkylation of 2-substituted pyridine N-oxides with acrylates

(2015) Takanori Shibata et al.   Organic Chemistry Frontiers

Iridium(I)-Catalyzed Direct CH Bond Alkylation of the C-7 Position of Indolines with Alkenes

(2014) Shiguang Pan et al.   ADVANCED SYNTHESIS & CATALYSIS

Highly Linear Selective Cobalt-Catalyzed Addition of Aryl Imines to Styrenes: Reversing Intrinsic Regioselectivity by Ligand Elaboration

(2014) Wengang Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iridium-Catalyzed Enantioselective CH Alkylation of Ferrocenes with Alkenes Using Chiral Diene Ligands

(2014) Takanori Shibata et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Development of Cobalt-Catalyzed C–H Bond Functionalization Reactions

(2014) Naohiko Yoshikai   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Mechanistic Study of a Switch in the Regioselectivity of Hydroheteroarylation of Styrene Catalyzed by Bimetallic Ni-Al through CH Activation

(2014) Wen-Ching Chen et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic Insights into the Pd-Catalyzed Intermolecular Asymmetric Allylic Dearomatization of Multisubstituted Pyrroles: Understanding the Remarkable Regio- and Enantioselectivity

(2014) Chao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Computational Mechanistic Study of an Unprecedented Heck-Type Relay Reaction: Insight into the Origins of Regio- and Enantioselectivities

(2014) Yanfeng Dang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy

(2014) Giacomo E. M. Crisenza et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism, Reactivity, and Selectivity in Palladium-Catalyzed Redox-Relay Heck Arylations of Alkenyl Alcohols

(2014) Liping Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cobalt-Catalyzed Enantioselective Directed C–H Alkylation of Indole with Styrenes

(2014) Pin-Sheng Lee et al.   ORGANIC LETTERS

Mechanistic Study on Ligand-Controlled Cobalt-Catalyzed Regioselectivity-Switchable Hydroarylation of Styrenes

(2013) Zhiwei Yang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanism and Selectivity of Rhodium-Catalyzed 1:2 Coupling of Aldehydes and Allenes

(2013) Genping Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes

(2013) Christo S. Sevov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tandem Isomerization and C–H Activation: Regioselective Hydroheteroarylation of Allylarenes

(2013) Wei-Chih Lee et al.   ORGANIC LETTERS

Recent Advances in Iridium-Catalyzed Alkylation of C–H and N–H Bonds

(2013) Shiguang Pan et al.   ACS Catalysis

Aldimine-Directed Branched-Selective Hydroarylation of Styrenes

(2012) Pin-Sheng Lee et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Study of Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Amino Acid-Derived Rhodium Complexes

(2012) Mikael Nordin et al.   ChemCatChem

Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization

(2012) Percia Beatrice Arockiam et al.   CHEMICAL REVIEWS

Ir(I)-Catalyzed C–H Bond Alkylation of C2-Position of Indole with Alkenes: Selective Synthesis of Linear or Branched 2-Alkylindoles

(2012) Shiguang Pan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ligand Effects on Rates and Regioselectivities of Rh(I)-Catalyzed (5 + 2) Cycloadditions: A Computational Study of Cyclooctadiene and Dinaphthocyclooctatetraene as Ligands

(2012) Xiufang Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Regioselective Switch for Amino-NHC Mediated C–H Activation of Benzimidazole via Ni–Al Synergistic Catalysis

(2012) Wei-Chun Shih et al.   ORGANIC LETTERS

[Ir(cod)2]BARF-Catalyzed C–H Bond Alkenylation and Alkylation of Ferrocenes

(2012) Satoshi Takebayashi et al.   ORGANOMETALLICS

Mechanistic Origin of Regioselectivity in Nickel-Catalyzed Olefin Hydroheteroarylation through C–H Activation

(2012) Yuan-Ye Jiang et al.   ORGANOMETALLICS

Hydroarylation of alkynes catalyzed by nickel

(2011) Yoshiaki Nakao   CHEMICAL RECORD

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins

(2011) Thomas M. Gøgsig et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design

(2011) Akifumi Nakamura et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nickel-Catalyzed Hydroheteroarylation of Vinylarenes

(2010) Yoshiaki Nakao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Selective C-4 Alkylation of Pyridine by Nickel/Lewis Acid Catalysis

(2010) Yoshiaki Nakao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Regioselectivity-Switchable Hydroarylation of Styrenes

(2010) Ke Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium-Catalyzed C−C Bond Formation via Heteroatom-Directed C−H Bond Activation

(2009) Denise A. Colby et al.   CHEMICAL REVIEWS

Transition-Metal-Catalyzed Hydroarylation Reactions of Alkynes Through Direct Functionalization of C-H Bonds: A Convenient Tool for Organic Synthesis

(2009) Tsugio Kitamura   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Nickel-Catalyzed C−H Alkenylation and Alkylation of 1,3,4-Oxadiazoles with Alkynes and Styrenes

(2009) Tomoya Mukai et al.   JOURNAL OF ORGANIC CHEMISTRY

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

Computational Studies of the Relative Rates for Migratory Insertions of Alkenes into Square-Planar, Methyl, −Amido, and −Hydroxo Complexes of Rhodium

(2009) Jesse W. Tye et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cationic iridium–BINAP complex-catalyzed addition of aryl ketones to alkynes and alkenes via directed C–H bond cleavage

(2008) Kyoji Tsuchikama et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Nickel-Catalyzed Alkenylation and Alkylation of Fluoroarenes via Activation of C−H Bond over C−F Bond

(2008) Yoshiaki Nakao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY