In this study, the structural, electronic, and biological interaction properties of 5-methyl-3-phenyl-1H-1,2,4-triazole-5-carboxaldehyde(MPTrzCHO), a 1,2,4-triazole derivative, were investigated using density functional theory (DFT) and molecular docking approaches.To determine the most stable geometry of the molecule,...
C. Küçük, Sibel Çelik· Journal of Higher Education...· 0 citations
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