Tandem [4+2]/retro[3+2]/[3+2] cycloaddition reactions of fluorinated‐oxadiazoles with conjugated, unconjugated, cyclic, and acyclic dienes

Cooperative photoactivation/Lewis base catalyzed [4 + 2] annulations of α-diazoketones and ortho-amino MBH carbonates to access dihydroquinolinone frameworks

(2023) Jin Zhou et al.   Organic Chemistry Frontiers

Divergent Synthesis of Highly Substituted Tetrahydroquinolines and Cyclopentenes via Lewis Base Catalyzed Switchable [4 + 2] and [3 + 2] Annulations of MBH-Carbonates with Activated Olefins

(2023) Kai-Kai Wang et al.   Journal of Organic Chemistry

Lewis-Base-Catalyzed Enantioselective Formal [4 + 2] Annulations of Morita–Baylis–Hillman Carbonates: Access to Tetrahydroquinolines Derivatives

(2023) Yanlin He et al.   Organic Letters

Mechanistic Details of Domino [3+2] Cycloaddition/[3,3] Sigmatropic Shift Reactions of N-Vinyl Nitrones with Isocyanates

(2022) Abdul Rashid Umar et al.   Computational and Theoretical Chemistry

Mechanistic elucidation of the tandem Diels–Alder/(3 + 2) cycloadditions in the design and syntheses of heterosteroids

(2022) Benedicta Donkor et al.   JOURNAL OF MOLECULAR MODELING

Catalyst-free [3 + 2] cycloaddition reaction of oxa-, aza-, and thio-bicyclic alkenes with cyclic and acyclic nitrones: A mechanistic study

(2022) George Baffour Pipim et al.   Computational and Theoretical Chemistry

Unveiling the molecular mechanisms of the cycloaddition reactions of aryl hetaryl thioketones and C,N-disubstituted nitrilimines

(2021) George Baffour Pipim et al.   JOURNAL OF MOLECULAR MODELING

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

(2021) Luis R Domingo et al.   ChemistrySelect

Charge transfer excitations and constrained density functional theory

(2021) Javier Carmona-Espíndola et al.   THEORETICAL CHEMISTRY ACCOUNTS

Theoretical studies on cycloaddition reactions of N-allyl substituted polycyclic Isoindole-1,3-dione with nitrones and nitrile oxides

(2021) Benedicta Donkor et al.   Computational and Theoretical Chemistry

Mechanistic study of the tandem intramolecular (4 + 2)/intermolecular (3 + 2) cycloaddition reactions for the formation of polyaza‐ and polyisoxazolidine‐steroids

(2020) Ernest Opoku et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Modern Synthetic Approaches to Phosphorus‐Sulfur Bond Formation in Organophosphorus Compounds

(2020) David J. Jones et al.   ADVANCED SYNTHESIS & CATALYSIS

Recent advances in the synthetic chemistry of 1,5 ‐benzothiazepines : A minireview

(2020) Varsha Devi et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Peri-, Chemo-, Regio-, Stereo- and Enantio-Selectivities of 1,3-dipolar cycloaddition reaction of C,N-Disubstituted nitrones with disubstituted 4-methylene-1,3-oxazol-5(4H)- one: A quantum mechanical study

(2020) George Baffour Pipim et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

1,3-Dipolar cycloaddition reaction of indoles with tosyl azide, subsequent dehydroaromatization and ring-opening cascade: a computational study

(2020) Daniel Aboagye Akuamoah et al.   THEORETICAL CHEMISTRY ACCOUNTS

Computational exploration of the 1,3‐dipolar cycloaddition reaction of 7‐isopropylidenebenzonorbornadiene with nitrile oxide and cyclic nitrone derivatives

(2020) George Baffour Pipim et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Computational studies on [4 + 2] / [3 + 2] tandem sequential cycloaddition reactions of functionalized acetylenes with cyclopentadiene and diazoalkane for the formation of norbornene pyrazolines

(2019) Ernest Opoku et al.   JOURNAL OF MOLECULAR MODELING

DFT mechanistic study on tandem sequential [4 + 2]/[3 + 2] addition reaction of cyclooctatetraene with functionalized acetylenes and nitrile imines

(2019) Ernest Opoku et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Quantum chemical studies on the mechanistic aspects of tandem sequential cycloaddition reactions of cyclooctatetraene with ester and nitrones

(2019) Ernest Opoku et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

1, 3-Dipolar cycloaddition reactions of selected 1,3-dipoles with 7-isopropylidenenorbornadiene and follow-up thermolytic cleavage: A computational study

(2019) Grace Arhin et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Mechanistic studies on tandem cascade [4 + 2]/ [3 + 2] cycloaddition of 1,3,4-oxadiazoles with olefins

(2019) Daniel Roland et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Tandem Intramolecular Diels–Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles: Initial Scope and Applications

(2016) Justin E. Sears et al.   ACCOUNTS OF CHEMICAL RESEARCH

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Mode-tracking based stationary-point optimization

(2015) Maike Bergeler et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Single-ended transition state finding with the growing string method

(2015) Paul M. Zimmerman   JOURNAL OF COMPUTATIONAL CHEMISTRY

Total Synthesis of (−)-Vindoline and (+)-4-epi-Vindoline Based on a 1,3,4-Oxadiazole Tandem Intramolecular [4 + 2]/[3 + 2] Cycloaddition Cascade Initiated by an Allene Dienophile

(2015) Justin E. Sears et al.   ORGANIC LETTERS

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

(2014) Luis R. Domingo   RSC Advances

Lewis base catalyzed asymmetric substitution/Diels–Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles

(2013) Gong-Feng Zou et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Lewis Base Catalyzed [4+2] Annulation of Electron-Deficient Chromone-Derived Heterodienes and Acetylenes

(2011) Heiko Dückert et al.   CHEMISTRY-A EUROPEAN JOURNAL

Unraveling the Mechanism of Cascade Reactions of Zincke Aldehydes

(2011) Robert S. Paton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The nucleophilicity N index in organic chemistry

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

Geometry optimization

(2011) H. Bernhard Schlegel   Wiley Interdisciplinary Reviews-Computational Molecular Science

Origins of Stereoselectivity in thetransDiels−Alder Paradigm

(2010) Robert S. Paton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Asymmetric tandem reactions: New synthetic strategies

(2010) Santos Fustero et al.   PURE AND APPLIED CHEMISTRY

Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions

(2009) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Understanding the mechanism of polar Diels–Alder reactions

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

Tandem double intramolecular [4+2]/[3+2] cycloadditions of nitroalkenes: construction of the pentacyclic core structure of daphnilactone B

(2009) Scott E. Denmark et al.   TETRAHEDRON

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

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

Lewis Acid−Lewis Base Catalyzed Enantioselective Hetero-Diels−Alder Reaction for Direct Access to δ-Lactones

(2008) Paolo S. Tiseni et al.   ORGANIC LETTERS