TURKISH JOURNAL OF CHEMISTRY, cilt.20, sa.1, ss.27-32, 1996 (SCI-Expanded)
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.