A theoretical evaluation on free radical scavenging activity of 3-styrylchromone derivatives: the DFT study
Emre Çakmak, Dilara Özbakır Işın
Topics & Concepts
ChemistryPolarizable continuum modelElectronegativityComputational chemistrySolvationScavengingPharmacophoreDensity functional theoryMoleculeRadicalImplicit solvationQuantitative structure–activity relationshipChromoneAntioxidantOrganic chemistryStereochemistryFree Radicals and AntioxidantsPhotochemistry and Electron Transfer StudiesBioactive Compounds and Antitumor Agents