“…The adsorption energy was noted to be −38.02 kcal mol −1 , and other approaches involved calculating the BSSE before and after adsorption, Q NBO , E HOMO , LUMO, dipole moment (DM) in the gas phase, UV-vis spectroscopy (transition wavelengths and oscillator strength), and recovery time. In another study by Cao et al, 26 an aluminum nanocone was investigated as a potential sensor for temozolomide (TMZ), i.e., an anticancer drug. Ejiofor et al 27 investigated the sensing abilities of aluminum nitride (Al 12 N 12 ) nanostructures doped with Cu, Ni, and Zn for flutamin, an anticancer drug.…”