Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations
Lafifi Ismahan, Nouar Leila, Madi Fatiha, Abdelkrim Guendouzi, Cheriet Mouna, Boulaha Nada, Houari Brahim
Topics & Concepts
ChemistryNatural bond orbitalElectronegativityHOMO/LUMODensity functional theoryIntermolecular forceComputational chemistryAtoms in moleculesInteraction energyChemical physicsMolecular orbitalMoleculeOrbital overlapOrganic chemistryNonlinear Optical Materials ResearchDrug Solubulity and Delivery SystemsCrystallography and molecular interactions