Gül Özdemir

Theoretical Investigation of Spectroscopic, Electronic and Thermodynamic Properties of [2-Methoxy-4-(3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)-azomethinphenyl] Acetate Molecule

Gül Özdemir, Gül Kotan & Haydar Yüksek · Asian Journal of Chemical Sciences · 2018

Firstly, [2-Methoxy-4-(3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)-azomethinphenyl] acetate molecule was optimized by using Density Functional Theory (DFT/B3LYP) and Hatree Fock (HF/ B3LYP) methods. Then, from this the most stable structure of the optimized molecule the hig...