Quantum-Chemical Investigations on the Functionalized 1H-Pyrimidines

Authors: İsmail YILDIRIM, Makbule TEZCAN, Yahya GÜZEL, Emin SARIPINAR, Yunus AKÇAMUR

Abstract: 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.


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