A molecular electron density theory study on the [3+2] cycloaddition reaction of thiocarbonyl ylides with hetaryl thioketones

A molecular electron density theory study of the chemo- and regioselective [3 + 2] cycloaddition reactions between trifluoroacetonitrile N -oxide and thioketones

(2018) Saeedreza Emamian et al.   CHEMICAL PHYSICS

[3+2] cycloaddition reaction between CF 3 -substituted thiocarbonyl ylides and thioketones: Exploration of regioselectivity and mechanistic aspects using Molecular Electron Density Theory

(2018) Afsaneh Asr et al.   JOURNAL OF FLUORINE CHEMISTRY

A combined experimental and theoretical study of the thermal [3+2] cycloaddition of carbonyl ylides with activated alkenes

(2018) Samira Hamza-Reguig et al.   JOURNAL OF MOLECULAR STRUCTURE

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

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

(2017) Ibrahim Mbouombouo Ndassa et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Toward understanding regioselectivity and molecular mechanism in the synthesis of CF 2 H-containing 2-pyrazolines: A molecular electron-density theory study

(2017) Saeedreza Emamian   JOURNAL OF FLUORINE CHEMISTRY

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

A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with ketenes

(2017) Mar Ríos-Gutiérrez et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

How does the global electron density transfer diminish activation energies in polar cycloaddition reactions? A Molecular Electron Density Theory study

(2017) Luis R. Domingo et al.   TETRAHEDRON

Understanding the domino reaction between 1-diazopropan-2-one and 1,1-dinitroethylene. A molecular electron density theory study of the [3 + 2] cycloaddition reactions of diazoalkanes with electron-deficient ethylenes

(2017) Luis R. Domingo et al.   RSC Advances

A Molecular Electron Density Theory Study of [3+2] Cycloaddition Reaction between Azomethine Ylides and Electron-Deficient Nitroalkenes

(2017) Saeedreza Emamian   ChemistrySelect

A DFT study of [3 + 2] cycloaddition reactions of an azomethine imine with N -vinyl pyrrole and N -vinyl tetrahydroindole

(2016) Mar Ríos-Gutiérrez et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

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

Generation of a substituted 1,2,4-thiadiazole ring via the [3+2] cycloaddition reaction of benzonitrile sulfide toward trichloroacetonitrile. A DFT study of the regioselectivity and of the molecular mechanism

(2015) Saeedreza Emamian   COMPTES RENDUS CHIMIE

Studies on the Reactions of ThiocarbonylS-Methanides with Hetaryl Thioketones

(2015) Grzegorz Mlostoń et al.   HELVETICA CHIMICA ACTA

Understanding the regioselectivity and molecular mechanism in the synthesis of isoxazoles containing pentafluorosulfanyl substitution via a [3+2] cycloaddition reaction: A DFT study

(2015) Saeedreza Emamian   JOURNAL OF FLUORINE CHEMISTRY

A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions

(2015) Luis R. Domingo et al.   TETRAHEDRON

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

Synthetic Routes to Chiral Nonracemic and Racemic Dihydro- And Tetrahydrothiophenes

(2012) Simonetta Benetti et al.   CHEMICAL REVIEWS

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

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

A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene

(2010) Benoit Braida et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing Noncovalent Interactions

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

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

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