A DFT study on the therapeutic potential of carbon nanostructures as sensors and drug delivery carriers for curcumin molecule: NBO and QTAIM analyses
Zahra Hadi, Milad Nouraliei, Asal Yousefi-Siavoshani, Hamedreza Javadian, Saber Mohammadi Chalanchi, Seyedeh Sedigheh Hashemi
Topics & Concepts
Density functional theoryAdsorptionAtoms in moleculesNatural bond orbitalMoleculeFullereneNanostructureCurcuminChemistryChemical physicsHydrogen bondComputational chemistryMaterials scienceNanotechnologyPhysical chemistryOrganic chemistryBiochemistryCarbon Nanotubes in CompositesCurcumin's Biomedical ApplicationsFullerene Chemistry and Applications