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First-principles investigation of Hydroxycarbamide anticancer drug delivery by X12N12 (X = B, Al, Ga) fullerene nanostructures: A DFT, NBO and QTAIM analysis

Mst. Shamima Khanom, Md. Rakib Hossain, Kazi Zahirul Islam, Md. Rakib Hossain, Farid Ahmed

2022Computational and Theoretical Chemistry17 citationsDOI

Topics & Concepts

ChemistryNatural bond orbitalFullereneAnticancer drugNanoclustersNanostructureNanotechnologyDrug deliveryDrugComputational chemistryOrganic chemistryPharmacologyDensity functional theoryMedicineMaterials scienceBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsGaN-based semiconductor devices and materials
First-principles investigation of Hydroxycarbamide anticancer drug delivery by X12N12 (X = B, Al, Ga) fullerene nanostructures: A DFT, NBO and QTAIM analysis | Litcius