Stefan A. F. Nastase

Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis

Adrián Ramírez, Xuan Gong, Mustafa Çağlayan et al. · Nature Communications · 2021 · 112 citations · Full text

Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations

Stefan A. F. Nastase, Pieter Cnudde, Louis Vanduyfhuys et al. · ACS Catalysis · 2020 · 53 citations · Full text

Engineering, Methanol, Mechanistic Insight +21

Methanol loading dependent methoxylation in zeolite H-ZSM-5

Santhosh Kumar Matam, Stefan A. F. Nastase, Andrew J. Logsdail et al. · Chemical Science · 2020 · 38 citations · Full text

Influence of active-site proximity in zeolites on Brønsted acid-catalyzed reactions at the microscopic and mesoscopic levels

Teng Li, Sang‐Ho Chung, Stefan A. F. Nastase et al. · Chem Catalysis · 2023 · 31 citations · Full text

Al Enrichment, Al Distribution, Engineering +17

Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5

Stefan A. F. Nastase, Alexander J. O’Malley, C. Richard A. Catlow et al. · Physical Chemistry Chemical Physics · 2018 · 28 citations