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.
YILDIRIM, İsmail; TEZCAN, Makbule; GÜZEL, Yahya; SARIPINAR, Emin; and AKÇAMUR, Yunus (1996) "Quantum-Chemical Investigations on the Functionalized 1H-Pyrimidines," Turkish Journal of Chemistry: Vol. 20: No. 1, Article 3. Available at: https://journals.tubitak.gov.tr/chem/vol20/iss1/3