Article citationsMore>>

S. Riahi, P. Norouzi, Ab. B. Moghaddam, M. R. Ganjali, Gh. R. Karimipour and H. Sharghi, “Theoretical and Experimental Report on the Determination of Oxidation Potentials of Hydroxyanthracene and Thioxanthene Derivatives,” Chemical Physics, Vol. 337, No. 1-3, 2007, pp. 33-38.
http://dx.doi.org/10.1016/j.chemphys.2007.06.018

has been cited by the following article:

• TITLE: Structure of Flavones and Flavonols. Part II: Role of Position on the O-H Bond Dissociation Enthalpy

  AUTHORS: Maria Hr. Vakarelska-Popovska, Zhivko As. Velkov

  KEYWORDS: DFT; BDE; EHOMO; Maximum Spin Density; Flavones; Flavonols

  JOURNAL NAME: Computational Chemistry, Vol.2 No.1, January 10, 2014

  ABSTRACT: The enthalpies of bond dissociations of the hydroxyl groups, the energy of the highest occupied molecular orbitals and the corresponding radicals spin densities of all possible ten isomeric mono-hydroxyl flavones are calculated by means of 3-parameter Becke, Lee, Yang and Parr functional. The structural factors affecting these descriptors of radical-scavenging activity are outlined. The results obtained show that the hydroxyl groups in ring A and C are more involved in the process of a radical-capturing than recently believed.