HOMO-LUMO energy gaps of complexes of transition metals with single and multi-ring aromatics
Nikolaos Kateris, Rui Xu, Hai Wang
Topics & Concepts
CoroneneHOMO/LUMOBinding energyPyreneChemistryBand gapDensity functional theoryTransition metalPhotochemistryChemical physicsComputational chemistryAromaticityMoleculeCrystallographyPhysical chemistryMaterials scienceAtomic physicsOrganic chemistryPhysicsOptoelectronicsCatalysisSynthesis and Properties of Aromatic CompoundsAdvanced Chemical Physics StudiesFullerene Chemistry and Applications