Thermodynamics-antioxidant activity relationships of some 4-benzylidenamino-4, 5-dihydro-1h-1,2,4-triazol-5-one derivatives: Theoretical evaluation
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DOI: 10.1080/10942912.2016.1225307
Abstract: ABSTRACT Density functional methods were used to predict the antioxidative efficiency of thirteen 4-benzylidenamino-4, 5-dihydro-1H-1,2,4-triazol-5-one derivatives in the gas phase and in the solution phase (water and benzene). Optimized geometries of molecules and reaction thermodynamic… read more here.
Keywords: phase; thermodynamics; benzylidenamino dihydro; triazol one ... See more keywords