Mechanistic elucidation of Diels–Alder cycloaddition reactions between quinoflavonoid and substituted butadiene using LOL, ELF, QTAIM, and DFT studies
Imad Hammoudan, Aziz Aboulmouhajir, Mohamed Dakir, D.Riffi Temsamani, Mohamed Bakhouch, Doaa El Bazi, Samir Chtita
Topics & Concepts
ChemistryDensity functional theoryComputational chemistryTransition stateCycloadditionConcerted reactionAtoms in moleculesElectron localization functionDieneReactivity (psychology)Diels–Alder reactionReaction mechanismBasis setIsopreneReaction coordinateMoleculeElectronOrganic chemistryQuantum mechanicsCatalysisPathologyPolymerAlternative medicineMedicinePhysicsNatural rubberCopolymerOrganic Chemistry Cycloaddition ReactionsFree Radicals and AntioxidantsAdvanced Chemical Physics Studies