9 research outputs found
Contribution to the study of antioxidant activity for flavonoids compounds. Application for QSAR modeling.
Atropisomerism at C ̶ N bonds: Structural conformations and vibrational spectral study of Iminothiazoline Derivatives with density functional theoretical optimizations
The isolation of the pair atropisomers of the both iminothiazoline derivatives and the
spectroscopic analytical of the compound have been computed using B3LYP/6-31G(d,p) level to
derive the equilibrium geometry, conformational stability, molecular orbital energies and vibrational
frequencies was studied in this paper