Unveiling the Chemo‐ and Regioselectivity of the [3+2] Cycloaddition Reaction between 4‐Chlorobenzonitrile Oxide and β‐Aminocinnamonitrile with a MEDT Perspective**

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

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

Unravelling the regio- and stereoselective synthesis of bicyclic N,O-nucleoside analogues within the molecular electron density theory perspective

(2020) Nivedita Acharjee   STRUCTURAL CHEMISTRY

Novel 1,2,4-Oxadiazole Derivatives in Drug Discovery

(2020) Karol Biernacki et al.   Pharmaceuticals

The carbenoid-type reactivity of simplest nitrile imine from a molecular electron density theory perspective

(2019) Mar Ríos-Gutiérrez et al.   TETRAHEDRON

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

One pot synthesis of 3,5-diaryl substituted-1,2,4-oxadiazoles using gem-dibromomethylarenes

(2019) Kambappa Vinaya et al.   CANADIAN JOURNAL OF CHEMISTRY

Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH

(2019) Andrei A. Golushko et al.   JOURNAL OF ORGANIC CHEMISTRY

[3 + 2]-Cycloaddition of 2H-Azirines with Nitrosoarenes: Visible-Light-Promoted Synthesis of 2,5-Dihydro-1,2,4-oxadiazoles

(2019) Bao-Gui Cai et al.   ORGANIC LETTERS

The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

(2018) Corentin Lefebvre et al.   CHEMPHYSCHEM

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

A Molecular Electron Density Theory Study of the Role of the Copper Metalation of Azomethine Ylides in [3 + 2] Cycloaddition Reactions

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

A Mild and Efficient One-Pot Preparation of 1,2,4-Oxadiazoles from Nitriles and Carboxylic Acids Using Vilsmeier Reagent

(2018) Maaroof Zarei   ChemistrySelect

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

(2017) Luis R. Domingo et al.   MOLECULES

Updates on synthesis and biological activities of 1,3,4-oxadiazole: A review

(2017) Salahuddin et al.   SYNTHETIC COMMUNICATIONS

The first one-pot ambient-temperature synthesis of 1,2,4-oxadiazoles from amidoximes and carboxylic acid esters

(2017) Sergey Baykov et al.   TETRAHEDRON

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

(2014) Luis R. Domingo   RSC Advances

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

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