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Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study

Maedeh Kamel, Ebraheem Abdu Musad Saleh, Kamal Mohammadifard, Iroda Maratovna Nigmatova, Sheela Bijlwan, Montather F. Ramadan, Abbas Heshmati Jannat Magham

2023Materials Chemistry and Physics13 citationsDOI

Topics & Concepts

NanocagesNatural bond orbitalDensity functional theoryAdsorptionMoleculeMaterials scienceComputational chemistryDopingNanocarriersAtom (system on chip)Physical chemistryChemical physicsChemistryNanotechnologyDrug deliveryOrganic chemistryCatalysisComputer scienceEmbedded systemOptoelectronicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsFullerene Chemistry and Applications
Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study | Litcius