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Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations

Molecular ModelingBiochemistryNatural SciencesCyclodextrin ProductionMolecular BiologyThymoquinone/hydroxypropyl-β-cyclodextrin Inclusion ComplexHirschfield SurfaceQm CalculationsHost-guest Chemistry