The Roles of Counterion and Water in a Stereoselective Cysteine-Catalyzed Rauhut-Currier Reaction: A Challenge for Computational Chemistry

Enantioselective Intramolecular Crossed Rauhut-Currier Reactions through Cooperative Nucleophilic Activation and Hydrogen-Bonding Catalysis: Scope and Mechanistic Insight

(2011) Xu-Fan Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Transition States and Energetics of Nucleophilic Additions of Thiols to Substituted α,β-Unsaturated Ketones: Substituent Effects Involve Enone Stabilization, Product Branching, and Solvation

(2011) Elizabeth H. Krenske et al.   JOURNAL OF ORGANIC CHEMISTRY

Enzyme-catalysed [4+2] cycloaddition is a key step in the biosynthesis of spinosyn A

(2011) Hak Joong Kim et al.   NATURE

Quasi-biomimetic ring contraction promoted by a cysteine-based nucleophile: Total synthesis of Sch-642305, some analogs and their putative anti-HIV activities

(2011) Alpay Dermenci et al.   Chemical Science

Recent Contributions from the Baylis−Hillman Reaction to Organic Chemistry

(2010) Deevi Basavaiah et al.   CHEMICAL REVIEWS

Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals

(2010) Steven E. Wheeler et al.   Journal of Chemical Theory and Computation

Development of a Cysteine-Catalyzed Enantioselective Rauhut−Currier Reaction

(2010) Carrie E. Aroyan et al.   JOURNAL OF ORGANIC CHEMISTRY

A Unified Mechanistic View on the Morita−Baylis−Hillman Reaction: Computational and Experimental Investigations

(2010) David Cantillo et al.   JOURNAL OF ORGANIC CHEMISTRY

Reaction Mechanism of the Gold(I)-Catalyzed Addition of Phenols to Olefins: A Concerted Process Accelerated by Phenol and Water

(2010) Gábor Kovács et al.   ORGANOMETALLICS

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

(2010) J. B. Siegel et al.   SCIENCE

ortho-Acidic aromatic thiols as efficient catalysts of intramolecular Morita–Baylis–Hillman and Rauhut–Currier reactions

(2010) Philipp S. Selig et al.   TETRAHEDRON LETTERS

Brønsted Acid Catalyzed Morita-Baylis-Hillman Reaction: A New Mechanistic View for Thioureas Revealed by ESI-MS(/MS) Monitoring and DFT Calculations

(2009) Giovanni W. Amarante et al.   CHEMISTRY-A EUROPEAN JOURNAL

Ab initio transition state theory for polar reactions in solution

(2009) Jeremy N. Harvey   FARADAY DISCUSSIONS

Mechanistic Insights and the Role of Cocatalysts in Aza-Morita−Baylis−Hillman and Morita−Baylis−Hillman Reactions

(2009) Dipankar Roy et al.   JOURNAL OF ORGANIC CHEMISTRY

The Rauhut–Currier reaction: a history and its synthetic application

(2009) Carrie E. Aroyan et al.   TETRAHEDRON

Catalysis of Intramolecular Morita-Baylis-Hillman and Rauhut-Currier Reactions by Fluorous Phosphines; Facile Recovery by Liquid/Solid Organic/Fluorous Biphase Protocols Involving Precipitation, Teflon®Tape, and Gore-Rastex®Fiber

(2008) Florian O. Seidel et al.   ADVANCED SYNTHESIS & CATALYSIS

Mechanism, Regioselectivity, and the Kinetics of Phosphine-Catalyzed [3+2] Cycloaddition Reactions of Allenoates and Electron-Deficient Alkenes

(2008) Yong Liang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Water Catalysis in the Morita-Baylis-Hillman Reaction: A Mechanistic Perspective

(2008) Dipankar Roy et al.   CHEMISTRY-A EUROPEAN JOURNAL

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

Two Ih-symmetry-breaking C60 isomers stabilized by chlorination

(2008) Yuan-Zhi Tan et al.   NATURE MATERIALS

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE