A DFT investigation on theranostic potential of alkaline earth metal doped phosphorenes for ifosfamide anti-cancer drug
Hira Karim, Shahnaz, Madeeha Batool, Mustansara Yaqub, Muhammad Saleem, Mazhar Amjad Gilani, Sobia Tabassum
Topics & Concepts
Natural bond orbitalDensity functional theoryChemistryHOMO/LUMOComputational chemistryNanotechnologyChemical physicsMaterials scienceMoleculeOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced biosensing and bioanalysis techniques