Potential energy curves (PECs) of atomic fluorine adsorption on coronene as a model for graphene or nanocarbon surfaces have been computed. The PECs were obtained by scanning the fluorine atom distance to one of the center carbon atoms of the coronene molecule as model system in a “top” position from 4.0 to1.0 A in intervals of 0.1 A using a variety of quantum chemical methods. Various density functional theory (DFT) functionals, such as B3LYP, PBE, PBE0, CAM-B3LYP, and LC-ωPBE; approximate DFT methods such as several levels of the density-functional tight-binding (DFTB) method, as well as ab initio wave function theory methods such as MP2, CCSD, CCSD(T), and G2MS extrapolations, were used to evaluate energies for B3LYP/cc-pVDZ PEC geometries. G2MS is an approximation to the highly accurate CCSD(T)/cc-pVTZ level of theory in our work. We found that fluorine is chemically adsorbed on coronene with a binding energy of 22.9 and 23.3 kcal/mol at the B3LYP/cc-pVDZ and G2MS levels of theory, respectively, and 1...