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.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.