Now showing items 1-2 of 2

    • Chemically uracil-functionalized carbon and silicon carbide nanotubes: computational studies 

      Harismah, K.; Mirzaei, M.; Sahebi, H.; Gülseren, Oğuz; Rad, A. S. (Elsevier, 2018)
      Chemical additions of uracil (U) nucleobase to sidewall of each of representative (4,4) armchair carbon and silicon carbide nanotubes (CNT and SiCNT) were investigated based on density functional theory (DFT) calculations. ...
    • Functionalization of (n,0) CNTs (n=3-16) by uracil: DFT studies 

      Mirzaei, M.; Harismah, K.; Jafari, E.; Gülseren, Oğuz; Rad, A. S. (Springer Heidelberg, 2018)
      Density functional theory (DFT) calculations were performed to investigate stabilities and properties for uracil (U)-functionalized carbon nanotubes (CNTs). To this aim, the optimized molecular properties were evaluated ...