A molecular electron density theory study of asymmetric Diels–Alder [4 + 2] reaction’s mechanism of furan with three substituted alkynes (5-R substituted-3-(3-(phenylsulfonyl)-propioloyl)-oxazolidin-2-one)

The global and local Reactivity of C,N-diarylnitryle imines in [3+2] cycloaddition processes with trans-β-nitrostyrene according to Molecular Electron Density Theory: A computational study

(2023) Mikołaj Sadowski et al.   Current Chemistry Letters

Regio- and stereoselectivity of [3+2] cycloaddition reactions between (Z)-1-(anthracen-9-yl)-N-methyl nitrone and analogs of trans-β-nitrostyrene on the basis of MEDT computational study

(2023) Karolina Kula et al.   Chemistry of Heterocyclic Compounds

Theoretical survey of Diels-Alder between acrylic acid and isoprene catalyzed by the titanium tetrachloride and titanium tertafluoride

(2022) R. Zahnoune et al.   JOURNAL OF MOLECULAR STRUCTURE

On the Question of the Formation of Nitro-Functionalized 2,4-Pyrazole Analogs on the Basis of Nitrylimine Molecular Systems and 3,3,3-Trichloro-1-Nitroprop-1-Ene

(2022) Karolina Kula et al.   MOLECULES

Asymmetric Diels–Alder reaction between furans and propiolates

(2021) Akihiro Ogura et al.   TETRAHEDRON LETTERS

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

The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N-Oxides in the Light of the Experimental and MEDT Quantum Chemical Study

(2021) Karolina Zawadzińska et al.   MOLECULES

Enantioselective Total Synthesis of Andrographolide and 14‐Hydroxy‐Colladonin: Carbonyl Reductive Coupling and trans ‐Decalin Formation by Hydrogen Transfer

(2020) Lin Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enzymatic Intermolecular Hetero-Diels–Alder Reaction in the Biosynthesis of Tropolonic Sesquiterpenes

(2019) Qibin Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diels–Alder Click-Cross-Linked Hydrogels with Increased Reactivity Enable 3D Cell Encapsulation

(2018) Laura J. Smith et al.   BIOMACROMOLECULES

Comment on “Natural Bond Orbitals and the Nature of the Hydrogen Bond”

(2018) F. Weinhold et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels–Alder and Polar Alder-ene Reactions

(2018) Luis R. Domingo et al.   MOLECULES

Chiral Supramolecular U-Shaped Catalysts Induce the Multiselective Diels–Alder Reaction of Propargyl Aldehyde

(2018) Manabu Hatano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational study of the 1,3-dipolar cycloaddition between methyl 2-trifluorobutynoate and substituted azides in terms of reactivity indices and activation parameters

(2017) Mohammed Salah et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Useful Applications of Enantioselective (4 + 2)-Cycloaddition Reactions to the Synthesis of Chiral 1,2-Amino Alcohols, 1,2-Diamines, and β-Amino Acids

(2017) Karla Mahender Reddy et al.   ORGANIC LETTERS

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

(2016) Juan Frau et al.   MOLECULES

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

(2016) Luis Domingo   MOLECULES

First example of stepwise, zwitterionic mechanism for bicyclo[2.2.1]hept-5-ene (norbornene) formation process catalyzed by the 1-butyl-3-methylimidazolium cations

(2016) Radomir Jasiński   MONATSHEFTE FUR CHEMIE

A reexamination of the molecular mechanism of the Diels–Alder reaction between tetrafluoroethene and cyclopentadiene

(2016) Radomir Jasiński   Reaction Kinetics Mechanisms and Catalysis

N,N′-Dioxide/Zinc Bis(trifluoromethylsulfonyl)imide Complex Catalyzed Enantioselective Diels-Alder Reaction of Cyclopentadiene with Alkynones

(2015) Tengfei Kang et al.   ADVANCED SYNTHESIS & CATALYSIS

A stepwise, zwitterionic mechanism for the 1,3-dipolar cycloaddition between ( Z )- C -4-methoxyphenyl- N -phenylnitrone and gem -chloronitroethene catalysed by 1-butyl-3-methylimidazolium ionic liquid cations

(2015) Radomir Jasiński   TETRAHEDRON LETTERS

Unraveling reaction mechanisms by means of Quantum Chemical Topology Analysis

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

Synthesis of Saturated N-Heterocycles

(2014) Cam-Van T. Vo et al.   JOURNAL OF ORGANIC CHEMISTRY

The Diels–Alder reactions of para-benzoquinone nitrogen-derivatives: an experimental and theoretical study

(2014) Marciana P. Uliana 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

Catalytic Asymmetric β,γ Activation of α,β-Unsaturated γ-Butyrolactams: Direct Approach to β,γ-Functionalized Dihydropyranopyrrolidin-2-ones

(2013) Xianxing Jiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Industrial Applications of the Diels-Alder Reaction

(2013) Jacques-Alexis Funel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A theoretical study of the mechanism, stereoselectivity and Lewis acid catalyst on the Diels–Alder cycloaddition between furan and activated alkenes

(2013) Samir Bouacha et al.   TETRAHEDRON LETTERS

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

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

Enzyme-catalysed [4+2] cycloaddition is a key step in the biosynthesis of spinosyn A

(2011) Hak Joong Kim et al.   NATURE

The nucleophilicity N index in organic chemistry

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

Understanding the High Reactivity of the Azomethine Ylides in [3 + 2] Cycloaddition Reactions

(2010) Luis R. Domingo et al.   LETTERS IN 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

A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions

(2008) Patricia Pérez 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

Catalytic Enantioselective [2 + 4] and [2 + 2] Cycloaddition Reactions with Propiolamides

(2008) Kazuaki Ishihara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY