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Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
tautomerism acidity constant nucleophilicity
2010/12/29
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...
Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
1,2,4-Triazole proton affinity tautomerism acidity constant nucleophilicity
2010/12/20
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...