Structural and reactivity studies of pravadoline –An ionic liquid, with reference to its wavefunction-relative properties using DFT and MD simulation
Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Sheena Mary, Y. Sheena Mary, Y. Sheena Mary, Rohitash Yadav
Topics & Concepts
ChemistryReactivity (psychology)Computational chemistryMolecular dynamicsWave functionIonic liquidIonic bondingDensity functional theoryDerivative (finance)Chemical physicsIonOrganic chemistryAtomic physicsPhysicsCatalysisEconomicsPathologyMedicineAlternative medicineFinancial economicsIonic liquids properties and applicationsPhotochemistry and Electron Transfer StudiesChemical and Physical Properties in Aqueous Solutions