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

DFT mechanistic studies on the regio-, stereo-, and enantio-selectivity of 1,3 dipolar cycloadditions of quinolinium imides with olefins, maleimides, and benzynes for the synthesis of fused N,N′-heterocycles

(2020) Abdul Rashid Umar et al.   JOURNAL OF MOLECULAR MODELING

The 1,3-dipolar cycloaddition of adamantine-derived nitrones with maleimides

(2020) Alexander P. Molchanov et al.   SYNTHETIC COMMUNICATIONS

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

Sequential Metal-Free Thermal 1,3-Dipolar Cycloaddition of Unactivated Azomethine Ylides

(2018) Verónica Selva et al.   ORGANIC LETTERS

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

A DFT mechanistic study of the generation of azomethine ylides from the ring-opening reactions of stabilized aziridines and follow-up 1,3-dipolar cycloaddition reactions with acetaldehyde

(2018) Shiraz Nantogma et al.   Computational and Theoretical 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

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

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

[3 + 2]-Cycloadditions of Azomethine Imines and Ynolates

(2016) Sarah E. Winterton et al.   ORGANIC LETTERS

Regioselectivity of 1,3-dipolar cycloadditions between aryl azides and an electron-deficient alkyne through DFT reactivity descriptors

(2016) Nazli Javani Dizaji et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Design, antiviral and cytostatic properties of isoxazolidine-containing amonafide analogues

(2015) Kamil Kokosza et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The Lipophilic Bullet Hits the Targets: Medicinal Chemistry of Adamantane Derivatives

(2013) Lukas Wanka et al.   CHEMICAL REVIEWS

Global and local reactivity indices for electrophilic/nucleophilic free radicals

(2013) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

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

Nitrones in synthetic polymer chemistry

(2011) Edgar H. H. Wong et al.   Polymer Chemistry

Sequential [3+2] cycloaddition/rearrangement reaction of imidazolone nitrones and allenoates for the efficient synthesis of functionalized imidazolidinone

(2011) Xi Wu et al.   TETRAHEDRON LETTERS

Synthesis and biological evaluation of diastereoisomerically pure N,O-nucleosides

(2010) Olga Bortolini et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Origins of Stereoselectivity in thetransDiels−Alder Paradigm

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

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

1,3-Dipolar cycloaddition of arynes with azomethine imines: synthesis of 1,2-dihydropyrazolo[1,2-a]indazol-3(9H)-ones

(2009) Feng Shi et al.   TETRAHEDRON LETTERS

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