| Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis A Ramirez, X Gong, M Caglayan, SAF Nastase, E Abou-Hamad, L Gevers, ... Nature communications 12 (1), 5914, 2021 | 65 | 2021 |
| Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loadings and Si/Al ratios using first-principles molecular dynamics simulations SAF Nastase, P Cnudde, L Vanduyfhuys, K De Wispelaere, ... ACS catalysis 10 (15), 8904-8915, 2020 | 41 | 2020 |
| Methanol loading dependent methoxylation in zeolite H-ZSM-5 SK Matam, SAF Nastase, AJ Logsdail, CRA Catlow Chemical science 11 (26), 6805-6814, 2020 | 29 | 2020 |
| Computational QM/MM investigation of the adsorption of MTH active species in HY and H-ZSM-5 SAF Nastase, AJ O’Malley, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 21 (5), 2639-2650, 2019 | 28 | 2019 |
| Influence of active-site proximity in zeolites on Brønsted acid-catalyzed reactions at the microscopic and mesoscopic levels T Li, SH Chung, S Nastase, A Galilea, Y Wang, I Mukhambetov, ... Chem Catalysis 3 (6), 2023 | 16 | 2023 |
| QM/MM study of the reactivity of zeolite bound methoxy and carbene groups SAF Nastase, AJ Logsdail, CRA Catlow Physical Chemistry Chemical Physics 23 (32), 17634-17644, 2021 | 15 | 2021 |
| A quantitative multiscale perspective on primary olefin formation from methanol T Omojola, AJ Logsdail, AC Van Veen, SAF Nastase Physical Chemistry Chemical Physics 23 (38), 21437-21469, 2021 | 12 | 2021 |
| QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and HY SAF Nastase, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 23 (3), 2088-2096, 2021 | 10 | 2021 |
| Understanding W/H-ZSM-5 catalysts for the dehydroaromatization of methane M Çağlayan, A Nassereddine, SAF Nastase, A Aguilar-Tapia, ... Catalysis Science & Technology 13 (9), 2748-2762, 2023 | 3 | 2023 |
| Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions A Ghosh, A Sagadevan, K Murugesan, SAF Nastase, B Maity, ... Materials Horizons 11 (10), 2494-2505, 2024 | 2 | 2024 |
| Simulated 13C chemical shifts used to investigate zeolite catalysis SAF Nastase, Y Ye, T Li, SH Chung, J Ruiz-Martinez, AD Chowdhury, ... Journal of Catalysis 428, 115183, 2023 | 1 | 2023 |
| Selectivity Descriptors of Catalytic n-Hexane Cracking Process Over 10-Member Ring Zeolites P Ma, H Zhou, Y Li, M Wang, SAF Nastase, M Zhu, J Cui, L Cavallo, ... Chemical Science, 2024 | | 2024 |
| Computational study on the early stages of the Methanol to Hydrocarbons process SAF Nastase Cardiff University, 2019 | | 2019 |
