The basic antioxidant structure for flavonoid derivatives.

  title={The basic antioxidant structure for flavonoid derivatives.},
  author={Anna Paula S. Mendes and Rosivaldo dos Santos Borges and Antonio Maia de Jesus Chaves Neto and Luiz Guilherme M de Macedo and Alb{\'e}rico Borges Ferreira da Silva},
  journal={Journal of molecular modeling},
  volume={18 9},
An antioxidant structure-activity study is carried out in this work with ten flavonoid compounds using quantum chemistry calculations with the functional of density theory method. According to the geometry obtained by using the B3LYP/6-31G(d) method, the HOMO, ionization potential, stabilization energies, and spin density distribution showed that the… CONTINUE READING