Superalkali X3O (X = Li, Na, K) doped B12N12 nano-cages as a new drug delivery platform for chlormethine: A DFT approach
Masoome Sheikhi, Sadegh Kaviani, Fatemeh Azarakhshi, Siyamak Shаhаb
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryMoleculeAtom (system on chip)Atoms in moleculesAdsorptionDipoleExcited statePhysical chemistryComputational chemistryCrystallographyAtomic physicsOrganic chemistryPhysicsComputer scienceEmbedded systemBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsNonlinear Optical Materials Research