| Study of structure and study of chemical reactions of flu cytosine and cytosine |
| کد مقاله : 1178-PHYCHEM23 |
| نویسندگان |
|
مهسا عزیزی1، منصور نمازیان *2 1شیمی فیزیک،دانشکده علوم پایه،دانشگاه یزد،یزد،ایران 2گروه شیمی، دانشکده علوم، دانشگاه یزد |
| چکیده مقاله |
| 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. |
| کلیدواژه ها |
| Cytosine; hydrogen transfer; G4MP2; DFT |
| وضعیت: پذیرفته شده برای ارسال فایل های ارائه پوستر |