Understanding the reactivity and regioselectivity of [3 + 2] cycloaddition reactions between substituted nitrile oxides and methyl acrylate. A molecular electron density theory study

Steric interactions controlling the syn diastereofacial selectivity in the [3 + 2] cycloaddition reaction between acetonitrile oxide and 7-oxanorborn-5-en-2-ones: A molecular electron density theory study

(2017) A. I. Adjieufack et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

A Molecular Electron Density Theory Study of the Reactivity of Azomethine Imine in [3+2] Cycloaddition Reactions

(2017) Luis R. Domingo et al.   MOLECULES

Origins of regioselectivity in 1,3-dipolar cycloadditions of nitrile oxides with alkynylboronates

(2016) Bernice Lin et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Regioselectivity of 1,3-Dipolar Cycloadditions of Benzonitrile Oxide to Alkenyl Boronic Esters: An Experimental and Computational Study

(2016) Jo Jeong et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxides

(2016) Radomir Jasiński et al.   JOURNAL OF MOLECULAR MODELING

Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study

(2016) Ulaganathan Sankar et al.   JOURNAL OF ORGANIC CHEMISTRY

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

(2016) Luis Domingo   MOLECULES

A new model for C–C bond formation processes derived from the Molecular Electron Density Theory in the study of the mechanism of [3+2] cycloaddition reactions of carbenoid nitrile ylides with electron-deficient ethylenes

(2016) Luis R. Domingo et al.   TETRAHEDRON

1,3-Dipolar cycloadditions of azomethine imines

(2015) Carmen Nájera et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Synthesis and biological evaluation of novel Δ2-isoxazoline fused cyclopentane derivatives as potential antimicrobial and anticancer agents

(2015) Santosh Kumar Prajapti et al.   MedChemComm

Unraveling reaction mechanisms by means of Quantum Chemical Topology Analysis

(2014) Juan Andrés et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Understanding the mechanisms of [3+2] cycloaddition reactions. The pseudoradical versus the zwitterionic mechanism

(2014) Luis R. Domingo et al.   TETRAHEDRON

A new C–C bond formation model based on the quantum chemical topology of electron density

(2014) Luis R. Domingo   RSC Advances

A DFT study of the role of Lewis acid catalysts in the mechanism of the 1,3-dipolar cycloaddition of nitrile imines towards electron-deficient acryloyl derivatives

(2012) Luis R. Domingo et al.   Computational and Theoretical Chemistry

Describing the Molecular Mechanism of Organic Reactions by Using Topological Analysis of Electronic Localization Function

(2011) J. Andres et al.   CURRENT ORGANIC CHEMISTRY

Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study

(2011) W. Benchouk et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Inverse electron-demand 1,3-dipolar cycloaddition of nitrile oxide with common nitriles leading to 3-functionalized 1,2,4-oxadiazoles

(2011) Nagatoshi Nishiwaki et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The nucleophilicity N index in organic chemistry

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

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Click Chemistry beyond Metal-Catalyzed Cycloaddition

(2009) C. Remzi Becer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of BenzonitrileN-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices

(2009) Luis R. Domingo et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

A further exploration of a nucleophilicity index based on the gas-phase ionization potentials

(2008) Paula Jaramillo et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding the Participation of Quadricyclane as Nucleophile in Polar [2σ + 2σ + 2π] Cycloadditions toward Electrophilic π Molecules

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

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

Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

(2008) Daniel H. Ess et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY