Abstract:The quantum study of the trisubstitued triazines bearing aminopyrimidine group was calculated by Gaussian 03 program. The energies, main composition and proportion of the frontier orbitals and electron density were analyzed. The study found that there exists correlation between the antibacterial activity of the trisubstitued triazines bearing aminopyrimidine group and energy. It was found that the C(3) and C(4) atoms were the active sites. In order to get the regression equation, the correlation analysis was d… Show more
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