Casanova-Páez, M.; Neese, F. Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory. Journal of Chemical Theory and Computation2025, 21, 1306–1321.
Casanova-Páez, M.; Neese, F. Assessment of the Similarity-Transformed Equation of Motion (STEOM) for Open-Shell Organic and Transition Metal Molecules. The Journal of Chemical Physics2024, 161, 144120.
The new type of OER electrocatalyst has been discovered by PD Dr. Harun Tüysüz (Max-Planck-Institut für Kohlenforschung), Prof. Dr. Claudia Felser (Max-Planck-Institut für Chemische Physik fester Stoffe) and co-workers.