مرور Volume 4, Issue 2 بر اساس موضوع "DFT"

در حال نمایش موارد 1 - 1 از 1

  • Ab initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase 

    Zare, K.؛ Monajjemi, M.؛ Zahedi, E.؛ Aghaie, H. (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2007-08-01)
    Ab initio and DFT methods have been used to study the seven tautomeric forms of 5-methylcytosine molecule.The related tautomer in gas phase have been studied at HF/6-31G, HF/6-31G* and B3LYP/6-31G* levels of