Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
Date
2010Author
Ogretir, Cemil
Sidir, Yadigar Gulseven
Sidir, Isa
Tasal, Erol
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The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and 6-311G(d,p) basis set. The integral equation formalism
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http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/10808https://doi.org/10.3906/kim-0904-31
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