Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory

The carbenoid-type reactivity of simplest nitrile imine from a molecular electron density theory perspective

(2019) Mar Ríos-Gutiérrez et al.   TETRAHEDRON

Diastereoselective synthesis and cytotoxic evaluation of new isoxazoles and pyrazoles with monoterpenic skeleton

(2019) Ali Oubella 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

Unravelling the Mysteries of [3+2] Cycloaddition Reactions

(2018) Mar Ríos-Gutiérez et al.   EUROPEAN 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

Expeditious Lead Optimization of Isoxazole-Containing Influenza A Virus M2-S31N Inhibitors Using the Suzuki–Miyaura Cross-Coupling Reaction

(2017) Fang Li et al.   JOURNAL OF MEDICINAL 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

Synthesis of novel coumarin appended bis(formylpyrazole) derivatives: Studies on their antimicrobial and antioxidant activities

(2016) Renuka Nagamallu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis and Biological Evaluation of Some Novel Isoxazole Derivatives

(2016) W. S. Hamama et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

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

N-((1,3-Diphenyl-1H-pyrazol-4-yl)methyl)anilines: A novel class of anti-RSV agents

(2015) Rossella Fioravanti et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

1,3,4-Trisubstituted pyrazole analogues as promising anti-inflammatory agents

(2014) S.G. Alegaon et al.   BIOORGANIC CHEMISTRY

Synthesis, Characterization and Antitumor Activity of Novel Ferrocene-Based Amides Bearing Pyrazolyl Moiety

(2014) Jing Ren et al.   Journal of Inorganic and Organometallic Polymers and Materials

Synthesis and characterization of novel benzo[d][1,3]dioxole gathered pyrazole derivatives and their antimicrobial evaluation

(2014) Basavaiah Umesha et al.   MEDICINAL CHEMISTRY RESEARCH

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

(2014) Luis R. Domingo   RSC Advances

Designing and synthesis of novel antimicrobial heterocyclic analogs of fatty acids

(2013) Aiman Ahmad et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Transformations of naproxen into pyrazolecarboxamides: search for potent anti-inflammatory, analgesic and ulcerogenic agents

(2013) Abdullah G. El-Sehemi et al.   MEDICINAL CHEMISTRY RESEARCH

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

(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