First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages
Md. Rakib Hossain, Md. Mehade Hasan, Siraj Ud Daula Shamim, Tahmina Ferdous, Md. Abul Hossain, Farid Ahmed
Topics & Concepts
NanocagesChemistryDensity functional theoryAdsorptionNatural bond orbitalSolvationComputational chemistryGibbs free energyMulliken population analysisMoleculePhysical chemistryThermodynamicsOrganic chemistryPhysicsCatalysisBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryGraphene research and applications