پديدآورندگان :
Azizi soreshjani Mahsa Department of Chemistry, Yazd University, Yazd, Iran, , Namazian Mansoor namazian@yazd.ac.ir Department of Chemistry, Yazd University, Yazd, Iran, , Noorbala Mohammad R. Department of Chemistry, Yazd University, Yazd, Iran,
كليدواژه :
Cytosine , hydrogen transfer , G4MP2 , DFT
چكيده فارسي :
Intramolecular hydrogen transfer for cytosine is investigated. By migration of hydrogen atom from nitrogen of cytosine to oxygen a different isomer is produced. Considering the new geometric position, fully optimization along frequency calculations and higher level of theory have been investigated using quantum chemical computation methods. The solubility of this compound in different solvents is also investigated. The results of this study are important in biochemistry of cytosine.
