A computational study of the origin of stereoinduction in NHC-catalyzed annulation reactions of α,β-unsaturated acyl azoliums

Catalytic Asymmetric Intermolecular Stetter Reactions of Enolizable Aldehydes with Nitrostyrenes: Computational Study Provides Insight into the Success of the Catalyst

(2012) Daniel A. DiRocco et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Chiral N-Heterocyclic Carbene-Catalyzed Annulations of Enals and Ynals with Stable Enols: A Highly Enantioselective Coates–Claisen Rearrangement

(2012) Jessada Mahatthananchai et al.   ACS Catalysis

α,β-Unsaturated Acyl Azoliums from N-Heterocyclic Carbene Catalyzed Reactions: Observation and Mechanistic Investigation

(2011) Jessada Mahatthananchai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Chiral N-heterocyclic carbene catalyzed annulation of α,β-unsaturated aldehydes with 1,3-dicarbonyls

(2011) Zhi-Qiang Zhu et al.   CHEMICAL COMMUNICATIONS

Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities, and Selectivities

(2011) Paul Ha-Yeon Cheong et al.   CHEMICAL REVIEWS

Assessment of Popular DFT and Semiempirical Molecular Orbital Techniques for Calculating Relative Transition State Energies and Kinetic Product Distributions in Enantioselective Organocatalytic Reactions

(2011) Sebastian Schenker et al.   Journal of Chemical Theory and Computation

Synthetic and Quantum Mechanical Studies into the N-Heterocyclic Carbene Catalyzed (4 + 2) Cycloaddition

(2011) Sarah J. Ryan et al.   JOURNAL OF ORGANIC CHEMISTRY

N-Heterocyclic Carbene-Catalyzed (4 + 2) Cycloaddition/Decarboxylation of Silyl Dienol Ethers with α,β-Unsaturated Acid Fluorides

(2011) Sarah J. Ryan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum Mechanical Investigation of the Effect of Catalyst Fluorination in the Intermolecular Asymmetric Stetter Reaction

(2011) Joann M. Um et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Transition-State Charge Stabilization through Multiple Non-covalent Interactions in the Guanidinium-Catalyzed Enantioselective Claisen Rearrangement

(2011) Christopher Uyeda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

EnantioselectiveN-Heterocyclic Carbene-Catalyzed Michael Addition to α,β-Unsaturated Aldehydes by Redox Oxidation

(2011) Zi-Qiang Rong et al.   ORGANIC LETTERS

Highly Stereoselective Synthesis of 1,2,3-Trisubstituted Indanes via Oxidative N-Heterocyclic Carbene-Catalyzed Cascades

(2011) Anup Biswas et al.   ORGANIC LETTERS

NHC-catalyzed annulation of enals and chalcones: further explorations on the novel synthesis of 1,3,4-trisubstituted cyclopentenes

(2011) Vijay Nair et al.   TETRAHEDRON

The effect of the N-mesityl group in NHC-catalyzed reactions

(2011) Jessada Mahatthananchai et al.   Chemical Science

N-Heterocyclic Carbene-Catalyzed Reaction of Alkynyl Aldehydes with 1,3-Keto Esters or 1,3-Diketones

(2010) Zhi-Qiang Zhu et al.   ADVANCED SYNTHESIS & CATALYSIS

NHC-Catalyzed Michael Addition to α,β-Unsaturated Aldehydes by Redox Activation

(2010) Suman De Sarkar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland−Claisen Rearrangements

(2010) Şeref Gül et al.   JOURNAL OF ORGANIC CHEMISTRY

An Enantioselective Claisen Rearrangement Catalyzed by N-Heterocyclic Carbenes

(2010) Juthanat Kaeobamrung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Total Synthesis of (−)-7-Deoxyloganin viaN-Heterocyclic Carbene Catalyzed Rearrangement of α,β-Unsaturated Enol Esters

(2010) Lisa Candish et al.   ORGANIC LETTERS

Gosteli−Claisen Rearrangement: Substrate Synthesis, Simple Diastereoselectivity, and Kinetic Studies

(2009) Julia Rehbein et al.   JOURNAL OF ORGANIC CHEMISTRY

Quantitative DFT Modeling of the Enantiomeric Excess for Dioxirane-Catalyzed Epoxidations

(2009) Severin T. Schneebeli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N-Heterocyclic Carbene-Catalyzed Generation of α,β-Unsaturated Acyl Imidazoliums: Synthesis of Dihydropyranones by their Reaction with Enolates

(2009) Sarah J. Ryan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Biomimetic Carbene-Catalyzed Oxidations of Aldehydes Using TEMPO

(2008) Joyram Guin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bifurcations on Potential Energy Surfaces of Organic Reactions

(2008) Daniel H. Ess et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent advances in carbon–carbon bond-forming reactions involving homoenolates generated by NHC catalysis

(2008) Vijay Nair et al.   CHEMICAL SOCIETY REVIEWS

Attempts To Improve the Overall Stereoselectivity of the Ireland−Claisen Rearrangement

(2008) Chi-Li Chen et al.   ORGANIC LETTERS