Yang, Z., Alexandrova, A. N., Sautet, P. (2026). Modeling CO 2 Hydrogenation to Methanol on an Ensemble of Inverse ZrO 2 on Cu Catalytic Sites: Mechanism, Reactivity, and Deactivation. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.5448247