Benchmarking Calculated Redox Potentials Across 155 Organic Molecules

Accurate oxidation and reduction potentials are central to electrolyte design, photoredox catalysis, and electrochemical stability screening, yet measuring them experimentally for every candidate of interest is slow and resource-intensive. Computational prediction offers a scalable alternative, provided the method is accurate enough to be chemically useful. The benchmark To validate our redox-potential workflow, we turned to…