How does water behave inside nanopores? Researchers reveal that confined water in zeolites significantly boosts catalytic reactions like guaiacol O-demethylation—key for converting biomass into valuable chemicals. Using advanced molecular simulations and VSC supercomputing power, the study unveils how spatial organization and undercoordinated hydronium ions drive this breakthrough in green chemistry.

By: Armando J. Cruz-Laufer, Maarten P. M. Vanhove, Lutz Bachmann, Maxwell Barson, Hassan Bassirou, Arnold R. Bitja Nyom, Mare Geraerts,...

Using advanced computational methods and the VSC’s high-performance infrastructure, researchers unraveled the unusual bonding behavior of platinum and palladium nitrosyl complexes. Their findings challenge traditional coordination chemistry models and offer fresh insights for catalyst design and sustainable NOx reduction.