The Challenge of Linear (E)-Enones in the Rh-Catalyzed, Asymmetric 1,4-Addition Reaction of Phenylboronic Acid: A DFT Computational Analysis

A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes

(2014) Iain D. Roy et al.   CHEMICAL COMMUNICATIONS

A First-Principles Examination of the Asymmetric Induction Model in the Binap/RhI-Catalysed 1,4-Addition of Phenylboronic Acid to Cyclic Enones by Density Functional Theory Calculations

(2014) Hua-Li Qin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Understanding α,β-Unsaturated Imine Formation from Amine Additions to α,β-Unsaturated Aldehydes and Ketones: An Analytical and Theoretical Investigation

(2014) Adam D. J. Calow et al.   JOURNAL OF ORGANIC CHEMISTRY

Dissecting non-covalent interactions in oxazaborolidinium catalyzed cycloadditions of maleimides

(2014) Robert S. Paton   ORGANIC & BIOMOLECULAR CHEMISTRY

The Houk–List transition states for organocatalytic mechanisms revisited

(2014) Alan Armstrong et al.   Chemical Science

Supramolecular catalysis. Part 1: non-covalent interactions as a tool for building and modifying homogeneous catalysts

(2013) Matthieu Raynal et al.   CHEMICAL SOCIETY REVIEWS

Supramolecular catalysis. Part 2: artificial enzyme mimics

(2013) Matthieu Raynal et al.   CHEMICAL SOCIETY REVIEWS

Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex

(2013) Liang-An Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cooperativity between steric repulsion and crossed diene coordination governs the enantioselectivity in rhodium(i)/chiral, 1,4- and 1,5-diene-catalysed 1,4-addition reaction: a DFT study

(2013) Eric Assen B. Kantchev   Chemical Science

Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems

(2012) Stephan Ehrlich et al.   ACCOUNTS OF CHEMICAL RESEARCH

On the Mechanism of Asymmetric Epoxidation of Enones Catalyzed by α,α-L-Diarylprolinols: A Theoretical Insight

(2012) Amedeo Capobianco et al.   ADVANCED SYNTHESIS & CATALYSIS

Conformationally flexible chiral supramolecular catalysts for enantioselective Diels–Alder reactions with anomalous endo/exo selectivities

(2012) Manabu Hatano et al.   CHEMICAL COMMUNICATIONS

Chiral bicyclic [2.2.2] octadiene ligands for Rh-catalysed catalytic asymmetric conjugate additions to acyclic enones: a quantitative structure–property relationship

(2012) Yunfei Luo et al.   CHEMICAL COMMUNICATIONS

Expanding the C1-Symmetric Bicyclo[2.2.1]heptadiene Ligand Family: Highly Enantioselective Synthesis of Cyclic β-Aryl-Substituted Carbonyl Compounds

(2012) Chia-Chen Liu et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Thiourea-catalysed ring opening of episulfonium ions with indole derivatives by means of stabilizing non-covalent interactions

(2012) Song Lin et al.   Nature Chemistry

Easily accessible chiral dicyclopentadiene ligands for rhodium-catalyzed enantioselective 1,4-addition reactions

(2012) Cheng Shao et al.   TETRAHEDRON LETTERS

Rhodium/diene-catalyzed tandem 1,4-shift/1,4-addition of (E)-1,2-diphenylethenylboronic acid to enones: density functional theory modeling and asymmetric catalysis

(2012) Keigo Sasaki et al.   Chemical Science

The origin of regio- and enantioselectivity in the Rh/chiral 1,4-diene-catalyzed addition of phenylboronic acid to enones: insights from DFT

(2011) Eric Assen B. Kantchev   CHEMICAL COMMUNICATIONS

Enantioselective and Diastereoselective Tsuji-Trost Allylic Alkylation of Lactones: An Experimental and Computational Study

(2011) Panos Meletis et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Origins of Enantioselectivity in Rh-Diene Complex Catalysed Arylation of Cyclohex-2-enones

(2011) Silvia Gosiewska et al.   CHEMISTRY-A EUROPEAN JOURNAL

The effects of ligand variation on enantioselective hydrogenation catalysed by RuH2(diphosphine)(diamine) complexes

(2011) Hsin-Yi Tiffany Chen et al.   DALTON TRANSACTIONS

Rh-Catalyzed Asymmetric 1,4-Addition of Arylboronic Acids to α,β-Unsaturated Ketones with DIFLUORPHOS and SYNPHOS Analogues

(2011) Farouk Berhal et al.   JOURNAL OF ORGANIC CHEMISTRY

Asymmetric Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of 1-Yne-vinylcyclopropanes for Bicyclo[3.3.0] Compounds with a Chiral Quaternary Carbon Stereocenter and Density Functional Theory Study of the Origins of Enantioselectivity

(2011) Mu Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

(R)-3,5-diCF3-SYNPHOS and (R)-p-CF3-SYNPHOS, Electron-Poor Diphosphines for Efficient Room Temperature Rh-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids

(2011) Farouk Berhal et al.   ORGANIC LETTERS

Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes

(2011) Aakarsh Saxena et al.   Chemical Science

Rhodium-Catalyzed Asymmetric Arylation

(2011) Ping Tian et al.   ACS Catalysis

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

Chemoenzymatic Synthesis and Application of Bicyclo[2.2.2]octadiene Ligands: Increased Efficiency in Rhodium-Catalyzed Asymmetric Conjugate Additions by Electronic Tuning

(2010) Yunfei Luo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Asymmetric Cu(ii) catalyses for cycloaddition reactions based on π–cation or n–cation interactions

(2010) Akira Sakakura et al.   CHEMICAL SOCIETY REVIEWS

C2-Symmetric Chiral Disulfoxide Ligands in Rhodium-Catalyzed 1,4-Addition: From Ligand Synthesis to the Enantioselection Pathway

(2010) Ronaldo Mariz et al.   CHEMISTRY-A EUROPEAN JOURNAL

Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition-Metal-Catalyzed Asymmetric Synthesis

(2010) Albert Poater et al.   CHEMISTRY-A EUROPEAN JOURNAL

Enantioselective Rhodium-Catalyzed Addition of Arylboronic Acids to Alkenylheteroarenes

(2010) Graham Pattison et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exploring Rhodium-Catalysed Conjugate Addition of Chiral Alkenylboronates Using Chiral Olefin Ligands

(2010) Christopher Frost et al.   SYNTHESIS-STUTTGART

Bifunctional Catalysis by Natural Cinchona Alkaloids: A Mechanism Explained

(2009) Clotilde S. Cucinotta et al.   CHEMISTRY-A EUROPEAN JOURNAL

Stereoselective Control by Face-to-Face Versus Edge-to-Face Aromatic Interactions: The Case ofC3-TiIVAmino Trialkolate Sulfoxidation Catalysts

(2009) Gabriella Santoni et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Electron-Poor Chiral Diphosphine Ligands: High Performance for Rh-Catalyzed Asymmetric 1,4-Addition of Arylboronic Acids at Room Temperature

(2009) Toshinobu Korenaga et al.   ORGANIC LETTERS

Rhodium-Catalyzed 1,4-Additions to Enantiopure Acceptors: Asymmetric Synthesis of Functionalized Pyrrolizidinones

(2009) Ludivine Zoute et al.   ORGANIC LETTERS

Catalytic Enantioselective Formation of Chiral-Bridged Dienes Which Are Themselves Ligands for Enantioselective Catalysis

(2009) M. Kevin Brown et al.   ORGANIC LETTERS

Enantioselective synthesis of polysubstituted prolines by Binap-silver-catalyzed 1,3-dipolar cycloadditions

(2009) Carmen Nájera et al.   TETRAHEDRON-ASYMMETRY

Theoretical Thermodynamics for Large Molecules: Walking the Thin Line between Accuracy and Computational Cost

(2008) Tobias Schwabe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Chiral Olefins as Steering Ligands in Asymmetric Catalysis

(2008) Christian Defieber et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes

(2008) Ryo Shintani et al.   JOURNAL OF ORGANIC CHEMISTRY

Simple Chiral Diene Ligands Provide High Enantioselectivities in Transition-Metal-Catalyzed Conjugate Addition Reactions

(2008) Kazuhiro Okamoto et al.   ORGANIC LETTERS

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

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

More than Bystanders: The Effect of Olefins on Transition-Metal-Catalyzed Cross-Coupling Reactions

(2007) Jeffrey B. Johnson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION