Adsorption behaviors of carbon monoxide (CO) over aromatic magnesium nanoclusters: a DFT study

DFT investigation of temozolomide drug delivery by pure and boron doped C24 fullerene-like nanocages

“…[2][3][4] In that purpose, nanomaterials (NMs) have emerged in recent decades as very interesting candidates not only for the delivery of anticancer drugs but also to improve the antioxidant capacity of phenolic compounds. [5][6][7] Therefore, theoretical chemistry methods are being extensively employed to evaluate the ability of NMs toward the adsorption of toxic wastes and gases, [8][9][10][11][12][13] heavy metal ions, 14 the catalysis of chemical reactions, 15 and the delivery of drugs of different types, [16][17][18][19][20] just to mention a few. Among these NMs, carbon based NMs (like graphene, nanotubes, nanocones, nanodiamonds and fullerenes) being applied in all the above mentioned elds are of great interest.…”