Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based ionic liquids
John A. Agwupuye, Hitler Louis, Tomsmith O. Unimuke, Prince David, Emmanuel I. Ubana, Yusuff L. Moshood
Topics & Concepts
Natural bond orbitalChemistryIonic liquidHOMO/LUMOBathochromic shiftHydrogen bondMolecular orbitalAtoms in moleculesPhysical chemistryComputational chemistryDensity functional theoryReactivity (psychology)MoleculePropylene carbonateInorganic chemistryOrganic chemistryCatalysisElectrochemistryElectrodePhysicsPathologyMedicineAlternative medicineQuantum mechanicsFluorescenceIonic liquids properties and applicationsCatalysis and Oxidation ReactionsInorganic and Organometallic Chemistry