Elucidating the adsorption and detection of amphetamine drug by pure and doped Al12N12, and Al12P12nano-cages, a DFT study
H. R. Abd El-Mageed, Mahmoud A. A. Ibrahim
Topics & Concepts
Natural bond orbitalHOMO/LUMOCovalent bondChemistryDensity functional theoryBinding energyAdsorptionAtom (system on chip)Molecular orbitalDrug detectionAtomic orbitalComputational chemistryCrystallographyMoleculePhysical chemistryOrganic chemistryAtomic physicsElectronEmbedded systemChromatographyComputer sciencePhysicsQuantum mechanicsFullerene Chemistry and ApplicationsGraphene and Nanomaterials ApplicationsGraphene research and applications