Daniel Gómez Bustos, Sreeprasad Sreenivasan, Balazs Pinter. "A computational study on the effect of structural isomerism on the excited state lifetime and redox energetics of archetype iridium photoredox catalyst platforms [Ir(ppy)2(bpy)]+ and Ir(ppy)3." The Journal of Chemical Physics (2025). https://doi.org/10.1063/5.0239293