Browsing by Author "Hadipour, N."

Now showing items 1-4 of 4

    • Cubane cluster surface for pyrimidine nucleobases relaxation: DFT approach 

      Mirzaei, M.; Hadipour, N.; Gülseren, Oğuz (Danishgah-i Azad-i IslamiIslamic Azad University, 2020-12-27)
      Density functional theory (DFT) approach was employed to investigate relaxation processes of each of pyrimidine nucleobases (NBs); cytosine (C), thymine (T) and uracil (U), at the Cubane Cluster Surface (CCS). The main ...

    • DFT explorations of quadrupole coupling constants for planar 5-fluorouracil pairs 

      Mirzaei, M.; Gülseren, O.; Hadipour, N. (Elsevier, 2016-08)
      Atomic scale properties of quadrupole coupling constants (CQ) have been evaluated for singular and paired 5-fluorouracil (FU) models. Structural possibilities and properties for various types of hydrogen bonded (HB) homo ...

    • DNA codon recognition by a cubane wire: In silico approach 

      Mirzaei, M.; Hadipour, N.; Gülseren, Oğuz (DergiPark, 2021)
      DNA codons, consisting of triplet nucleotides (NTs), could play important roles for RNA transcription and protein translation in living systems. Therefore, their recognition could be seen important for diagnosis and therapy ...

    • Relaxations of fluorouracil tautomers by decorations of fullerene-like SiCs: DFT studies 

      Kouchaki, A.; Gülseren, O.; Hadipour, N.; Mirzaei, M. (Elsevier, 2016-06)
      Decorations of silicon carbide (SiC) fullerene-like nanoparticles by fluorouracil (FU) and its tautomers are investigated through density functional theory (DFT) calculations. Two models of fullerene-like particles including ...