Predicting adsorption behavior of Triacanthine anticancer drug with pure B12N12 nano-cage: A theoretical study
Hooriye Yahyaei, Masoome Sheikhi, Fatemeh Azarakhshi, Mahin Ahmadianarog, Sadegh Kaviani, Siyamak Shаhаb
Topics & Concepts
ChemistryAdsorptionNatural bond orbitalCageNano-Computational chemistryDensity functional theoryExothermic processExothermic reactionPhysical chemistryNanotechnologyOrganic chemistryChemical engineeringMaterials scienceMathematicsCombinatoricsEngineeringBoron and Carbon Nanomaterials ResearchNanoparticle-Based Drug DeliveryBoron Compounds in Chemistry