DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene
Md. Rakib Hossain, Md. Mehade Hasan, Maliha Nishat, Noor-E-Ashrafi, Farid Ahmed, Tahmina Ferdous, Md. Abul Hossain
Topics & Concepts
NanoclustersNanomaterialsNatural bond orbitalMaterials scienceDensity functional theoryNanostructureAdsorptionComputational chemistryNanocarriersSolvationNanotechnologyNanoparticleChemical physicsMoleculeChemistryPhysical chemistryOrganic chemistryBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsGraphene research and applications