Substituent Effect in the First Excited Triplet State of Monosubstituted Benzenes
Ján Cz. Dobrowolski, Grażyna Karpińska
Abstract
states. For several planar systems, the shape of the U- and RO-density functional theory-calculated SOMO-1 orbitals differs substantially.
Topics & Concepts
SubstituentExcited stateTriplet statePhotochemistryChemistryState (computer science)Computational chemistryMedicinal chemistryAtomic physicsPhysicsComputer scienceAlgorithmMolecular Junctions and NanostructuresPhotochemistry and Electron Transfer StudiesSynthesis and Properties of Aromatic Compounds