Ara
Toplam kayıt 4, listelenen: 1-4
Determination of the pKa value of some 1,2,4-triazol derivatives in forty seven different solvents using semi-empirical quantum methods (PM7, PM6, PM6-DH2, RM1, PM3, AM1, and MNDO) by MOPAC computer program
(Ovidius University Press, 2023)
In this study, we calculated the enthalpy (?H, kcal/mol), entropy (?S, cal/K.mol) and free energy (?G, kcal/mol) thermodynamic values of each molecule for forty-seven different solvent media according to semi-empirical ...
Synthesis, potentiometric titrations and antioxidant activities of some 4-acylamino-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives
(2008)
Five novel 3-alkyl-4-cinnamoylamino-4,5-dihydro-1H-1,2,4-triazol-5-ones (2) were synthesized by the reactions of 3-alkyl-4-amino-4,5-dihydro-1H-1,2,4- triazol-5-ones (1) with cinnamoyl chloride and characterized by elemental ...
Theoretical determination of electronic, geometric and spectroscopic properties of some 1,2,4-triazol derivatives
(2023)
In this study, molecular geometric optimization of five 4,5-dihydro-1H-1,2,4-triazol-5-one derivative compounds was obtained using Density Functional Theory, (DFT, B3LYP)/ Hartree Fock, (HF, B3LYP) methods on the basis set ...
Determination of the pKa of Some triazole derivatives by the potentiometric method in dioxan-water mixtures
(2011)
Stoichiometric protonation constants of some 3-alkyl(aryl)-4-(substituted benzylamino)-4,5-dihydro-1 H-1,2,4-triazol-5-ones derivatives were determined potentiometrically in 50% (v/v) dioxan-water mixtures at 25°C with an ...