Insights into the mechanism of [3+2] cycloaddition reactions between N‐benzyl fluoro nitrone and maleimides, its selectivity and solvent effects

Unveiling the mechanism, selectivity, solvent and temperature effects on the [3 + 2] cycloaddition reaction of N-methyl-C-(2-furyl) nitrone with maleimide derivatives from the molecular electron density theory perspective

(2023) Moulay Driss Mellaoui et al.   THEORETICAL CHEMISTRY ACCOUNTS

A Molecular Electron Density Theory Study of the Lewis Acid Catalyzed [3+2] Cycloaddition Reactions of Nitrones with Nucleophilic Ethylenes

(2022) Luis R. Domingo et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Theoretical study of the Diels–Alder reaction of 3-bromo-1-phenylprop-2-ynone with furan and 2-methylfuran

(2021) M. Sahrane et al.   THEORETICAL CHEMISTRY ACCOUNTS

Corrosion inhibition of mild steel by aminobenzoic acid isomers in hydrochloric acid solution: Efficiency and adsorption mechanisms

(2021) Abdallah Imjjad et al.   APPLIED SURFACE SCIENCE

Unveiling the Substituent Effects in the Stereochemistry of [3+2] Cycloaddition Reactions of Aryl‐ and Alkyldiazomethylphosphonates with Norbornadiene within a MEDT Perspective

(2021) Luis R Domingo et al.   ChemistrySelect

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

Unveiling the mechanism and selectivity of [3+2] cycloaddition reactions of benzonitrile oxide to ethyl trans-cinnamate, ethyl crotonate and trans-2-penten-1-ol through DFT analysis

(2020) Khalid Abbiche et al.   JOURNAL OF MOLECULAR MODELING

The 1,3-dipolar cycloaddition of adamantine-derived nitrones with maleimides: A computational study

(2020) Abdul Rashid Umar et al.   Computational and Theoretical Chemistry

Role of Fluorine in Drug Design and Drug Action

(2019) Satya P. Gupta   Letters in Drug Design & Discovery

An MEDT study of the mechanism and selectivities of the [3+2] cycloaddition reaction of tomentosin with benzonitrile oxide

(2019) Abdellah Zeroual et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Elucidating the origin of selectivity of [3 + 2]-cycloaddition reactions between thioketone and carbohydrate-derived nitrones by the DFT

(2019) Junxia Yang et al.   JOURNAL OF MOLECULAR MODELING

Mechanochemical synthesis and cycloaddition reactions of fluoro nitrone under solvent‐free conditions and potential antimicrobial activities of the cycloadducts

(2019) Bhaskar Chakraborty   JOURNAL OF HETEROCYCLIC CHEMISTRY

Small molecule based five-membered heterocycles: A view of liquid crystalline properties beyond the biological applications

(2019) Sumana Y. Kotian et al.   JOURNAL OF MOLECULAR LIQUIDS

Unravelling the mechanism and the origin of the selectivity of the [3 + 2] cycloaddition reaction between electrophilic nitrone and nucleophilic alkene

(2019) Fouad Chafaa et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

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

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

Isoxazolidine: A Privileged Scaffold for Organic and Medicinal Chemistry

(2016) Mathéo Berthet et al.   CHEMICAL REVIEWS

New Isoxazolidine-Conjugates of Quinazolinones—Synthesis, Antiviral and Cytostatic Activity

(2016) Dorota Piotrowska et al.   MOLECULES

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

(2016) Luis Domingo   MOLECULES

Synthesis of isoxazolidine-containing uridine derivatives as caprazamycin analogues

(2015) Mayumi Yamaguchi et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A bonding evolution theory study of the mechanism of [3+2] cycloaddition reactions of nitrones with electron-deficient ethylenes

(2015) Mar Ríos-Gutiérrez et al.   RSC Advances

A DFT analysis of the participation of zwitterionic TACs in polar [3+2] cycloaddition reactions

(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

Novel isoxazole polycyclic aromatic hydrocarbons as DNA-intercalating agents

(2012) Antonio Rescifina et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

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

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

Chiral Silver Amides as Effective Catalysts for Enantioselective [3+2] Cycloaddition Reactions

(2011) Yasuhiro Yamashita et al.   Chemistry-An Asian Journal

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The nucleophilicity N index in organic chemistry

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

Basis set dependence of atomic spin populations

(2010) Jordan J. Philips et al.   CHEMICAL PHYSICS LETTERS

Understanding the mechanism of polar Diels–Alder reactions

(2009) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR 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