Quantum-chemical investigations on the functionalized 1H-pyrimidines
TURKISH JOURNAL OF CHEMISTRY, cilt.20, sa.1, ss.27-32, 1996 (SCI-Expanded, Scopus, TRDizin)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 20 Sayı: 1
- Basım Tarihi: 1996
- Dergi Adı: TURKISH JOURNAL OF CHEMISTRY
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
- Sayfa Sayıları: ss.27-32
- Erciyes Üniversitesi Adresli: Evet
Özet
Conformational analysis and quantum-chemical calculations were carried out by means of the methods MMP2 and SCF MO LCAO in the CNDO/2 and MNDO approximation for the series of compounds being functionalized 1H- pyrimidines. The analysis of the electron density distribution depending on the substituents' nature was done on the basis of the data obtained.