Computational investigation of dimethoate and β-cyclodextrin inclusion complex: molecular structures, intermolecular interactions, and electronic analysis
Amina Benaïssa, Abdelaziz Bouhadiba, Noura Naili, Faiza Chekkal, Malika Khelfaoui, Ibtissem Bouras, Mohamed Salah Madjram, Bachir Zouchoune, Sulaiman Mogalli, Najran Malfi, Nouar Leila, Madi Fatiha
Topics & Concepts
Natural bond orbitalChemistryvan der Waals forceIntermolecular forceCyclodextrinComputational chemistryMoleculeAtomic orbitalElectronic structureBasis setVan der Waals surfaceMolecular orbitalDensity functional theoryCrystallographyVan der Waals radiusOrganic chemistryElectronQuantum mechanicsPhysicsNonlinear Optical Materials ResearchDrug Solubulity and Delivery SystemsCrystallography and molecular interactions