Autor/es:
MENA, LEANDRO D.; BORIONI, JOSÉ L.; CABY, SOFIA; ENDERS, PATRICK; ARGÜELLO CORDERO, MIGUEL A.; FENNEL, FRANZISKA; FRANCKE, ROBERT; LOCHBRUNNER, STEFAN; BARDAGI, JAVIER I.
Resumen:
e present a computational approach for predicting key properties of organic radical anions, including excited-state lifetimes and redox potentials. The approach shows good agreement with experimental data and has potential for in silico screening to facilitate the rational design of photocatalysts.