A DFT study on the NHC catalysed Michael addition of enols to α,β-unsaturated acyl-azoliums. A base catalysed C–C bond-formation step

Intramolecular General Base Catalysis in the Hydrolysis of a Phosphate Diester. Calculational Guidance to a Choice of Mechanism

(2013) Anthony J. Kirby et al.   JOURNAL OF ORGANIC CHEMISTRY

Understanding C–C bond formation in polar reactions. An ELF analysis of the Friedel–Crafts reaction between indoles and nitroolefins

(2013) Luis R. Domingo et al.   RSC Advances

Nucleophilic Addition of Enols and Enamines to α,β-Unsaturated Acyl Azoliums: Mechanistic Studies

(2012) Ramesh C. Samanta et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Origin of the synchronicity in bond formation in polar Diels–Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene

(2012) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

N-Heterocyclic Carbene-Catalyzed Three-Component Domino Reaction of Alkynyl Aldehydes with Oxindoles

(2012) Ding Du et al.   ORGANIC LETTERS

Understanding the regioselectivity in hetero Diels–Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

(2012) Luis R. Domingo et al.   TETRAHEDRON

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

(2012) Eirik Lyngvi et al.   Chemical Science

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

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

(2012) Luis R. Domingo et al.   RSC Advances

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

Activating Water: Important Effects of Non-leaving Groups on the Hydrolysis of Phosphate Triesters

(2011) Anthony J. Kirby et al.   CHEMISTRY-A EUROPEAN JOURNAL

Understanding the cooperative NHC/LA catalysis for stereoselective annulation reactions with homoenolates. A DFT study

(2011) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The nucleophilicity N index in organic chemistry

(2011) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

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

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

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

(2011) Jessada Mahatthananchai et al.   Chemical Science

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

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

An Enantioselective Claisen Rearrangement Catalyzed by N-Heterocyclic Carbenes

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

NHC Catalyzed Oxidations of Aldehydes to Esters: Chemoselective Acylation of Alcohols in Presence of Amines

(2010) Suman De Sarkar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the mechanism of stereoselective synthesis of cyclopentenes via N-heterocyclic carbene catalyzed reactions of enals with enones

(2010) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Oxidative Amidation and Azidation of Aldehydes by NHC Catalysis

(2010) Suman De Sarkar et al.   ORGANIC LETTERS

Understanding the mechanism of the N-heterocyclic carbene-catalyzed ring-expansion of 4-formyl-β-lactams to succinimide derivatives

(2009) Luis R. Domingo et al.   TETRAHEDRON

A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions

(2008) Patricia Pérez et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding Reaction Mechanisms in Organic Chemistry from Catastrophe Theory Applied to the Electron Localization Function Topology

(2008) Victor Polo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

N-Heterocyclic Carbene-Catalyzed Oxidation of Unactivated Aldehydes to Esters

(2008) Brooks E. Maki et al.   ORGANIC LETTERS

Stereoselective synthesis of spirocyclopentanones viaN-heterocyclic carbene-catalyzed reactions of enals and dienones

(2007) Vijay Nair et al.   CHEMICAL COMMUNICATIONS