DFT investigation of Percyanation effect of coronene molecule: Comparative study with their Perhalogenated counterparts.
Marius Ousmanou Bouba, Fridolin Tchangnwa Nya, Alhadji Malloum, Jeanet Conradie, J.M.B. Ndjaka
Topics & Concepts
CoroneneHOMO/LUMODensity functional theoryTime-dependent density functional theoryAmbipolar diffusionElectron affinity (data page)ChemistryMoleculeIonization energyDiphenylamineComputational chemistryMaterials scienceElectronIonizationOrganic chemistryPhysicsQuantum mechanicsIonAdvanced Chemical Physics StudiesOrganic Light-Emitting Diodes ResearchOrganic Electronics and Photovoltaics