Results 11 to 20 of about 458,655 (311)

Unveiling the Role of the Lewis Acids in the Acceleration of Alder-Ene Reactions: A Molecular Electron Density Theory Study. [PDF]

Molecules
Domingo LR, Pérez P.
europepmc   +5 more sources

A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels⁻Alder and Polar Alder-ene Reactions. [PDF]

Molecules, 2018
Domingo LR, Ríos-Gutiérrez M, Pérez P.   +2 more
europepmc   +3 more sources

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines. [PDF]

Front Chem
Shawish I, Al Ayoubi S, El-Faham A, Aldalbahi A, El-Senduny FF, Badria FA, Ríos-Gutiérrez M, Hammud HH, Ashraf S, Ul-Haq Z, Barakat A.   +10 more
europepmc   +3 more sources

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units. [PDF]

Molecules, 2022
Domingo LR, Ríos-Gutiérrez M, Barakat A.   +2 more
europepmc   +3 more sources

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. [PDF]

Molecules, 2020
Ríos-Gutiérrez M, Domingo LR, Esseffar M, Oubella A, Ait Itto MY.   +4 more
europepmc   +3 more sources

A New Insight into the Molecular Mechanism of the Reaction between 2-Methoxyfuran and Ethyl (Z)-3-phenyl-2-nitroprop-2-enoate: An Molecular Electron Density Theory (MEDT) Computational Study. [PDF]

Molecules
Sadowski M, Dresler E, Wróblewska A, Jasiński R.   +3 more
europepmc   +3 more sources

Mechanistic Aspects of [3+2] Cycloaddition Reaction of Trifluoroacetonitrile with Diarylnitrilimines in Light of Molecular Electron Density Theory Quantum Chemical Study. [PDF]

Molecules
Łapczuk A, Ríos-Gutiérrez M.
europepmc   +3 more sources

Synthesis, Molecular Electron Density Theory Study, Molecular Docking, and Pharmacological Evaluation of New Coumarin–Sulfonamide–Nitroindazolyl–Triazole Hybrids as Monoamine Oxidase Inhibitors [PDF]

Int J Mol Sci
Eddahmi M, La Spada G, Domingo L, Vergoten G, Bailly C, Catto M, Bouissane L.   +6 more
europepmc   +3 more sources

Unveiling the Intramolecular Ionic Diels-Alder Reactions within the Molecular Electron Density Theory [PDF]

Chemistry, 2021
The intramolecular ionic Diel-Alder (IIDA) reactions of two dieniminiums have been studied within the Molecular Electron Density Theory (MEDT) at the B97XD/6-311G(d,p) computational level. ELF topological analysis of dieniminiums shows that its electronic structure can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic
Luís R. Domingo, Mar Ríos‐Gutiérrez, M. José Aurell   +2 more
openalex   +6 more sources

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin. [PDF]

Molecules, 2019
Domingo LR, Ríos-Gutiérrez M, Acharjee N.   +2 more
europepmc   +3 more sources