DFT prediction of Dichlorvos β-cyclodextrin inclusion complex: energetic and non-covalent interaction insights
Noura Naili, Amina Benaïssa, Faiza Chekkal, Mohamed Amine Zerizer, Bachir Zouchoune, Abdelaziz Bouhadiba, Nawel Redjem
Topics & Concepts
ChemistryDichlorvosCyclodextrinComputational chemistryInclusion (mineral)Covalent bondNon-covalent interactionsMoleculeOrganic chemistryMineralogyBiologyAgronomyHydrogen bondPesticideNonlinear Optical Materials ResearchDrug Solubulity and Delivery SystemsCrystallography and molecular interactions