A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitronic ester with methyl acrylate

A molecular electron density theory study of the Grignard reagent‐mediated regioselective direct synthesis of 1,5‐disubstituted‐1,2,3‐triazoles

(2020) Luis R. Domingo et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Mechanistic study of the [2+2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate

(2020) Haydar A. Mohammad-Salim et al.   THEORETICAL CHEMISTRY ACCOUNTS

The Theoretical Study on the Mechanism of [3+2] Cycloaddition Reactions between α,β-unsaturated Selenoaldehyde with Nitrone and with Nitrile Oxide

(2020) Haydar Mohammad-Salim et al.   Journal of the Mexican Chemical Society

Unveiling the high reactivity of strained dibenzocyclooctyne in [3 + 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory

(2020) Luis R. Domingo et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Insights into the mechanism and regiochemistry of the 1,3-dipolar cycloaddition reaction between benzaldehyde and diazomethane

(2020) K. Abbiche et al.   THEORETICAL CHEMISTRY ACCOUNTS

A molecular electron density theory study for [3 + 2] cycloaddition reactions of 1‐pyrroline ‐1‐oxide with disubstituted acetylenes leading to bicyclic 4‐isoxazolines

(2020) Haydar A. Mohammad‐Salim et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

(2019) Luis Domingo et al.   MOLECULES

Competition between [2 + 1]- and [4 + 1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of a DFT computational study

(2019) Radwan A. Alnajjar et al.   JOURNAL OF MOLECULAR MODELING

A Molecular Electron Density Theory Study of the Reactivity and Selectivities in [3 + 2] Cycloaddition Reactions of C,N-Dialkyl Nitrones with Ethylene Derivatives

(2018) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

Unravelling the Mysteries of [3+2] Cycloaddition Reactions

(2018) Mar Ríos-Gutiérez et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

[3+2] Cycloaddition Reaction of C -Phenyl-N -methyl Nitrone to Acyclic-Olefin-Bearing Electron-Donating Substituent: A Molecular Electron Density Theory Study

(2018) Luis R. Domingo et al.   ChemistrySelect

Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

(2018) Anna Krylov et al.   JOURNAL OF CHEMICAL PHYSICS

Regioselectivity, stereoselectivity, and molecular mechanism of [3 + 2] cycloaddition reactions between 2-methyl-1-nitroprop-1-ene and (Z)-C-aryl-N-phenylnitrones: a DFT computational study

(2018) Ewa Dresler et al.   JOURNAL OF MOLECULAR MODELING

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

Understanding the reaction mechanism of the Lewis acid (MgBr2)-catalysed [3+2] cycloaddition reaction between C-methoxycarbonyl nitrone and 2-propen-1-ol: a DFT study

(2016) A. I. Adjieufack et al.   THEORETICAL CHEMISTRY ACCOUNTS

Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density theory study

(2016) Luis R. Domingo et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2014) Luis R. Domingo   RSC Advances

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL 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

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

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