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Stefan Adrian Nastase
Stefan Adrian Nastase
Postdoctoral Research Fellow - KAUST University, Saudi Arabia
Verified email at kaust.edu.sa
Title
Cited by
Cited by
Year
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
212020
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
182019
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), 1-13, 2021
152021
Methanol loading dependent methoxylation in zeolite H-ZSM-5
SK Matam, SAF Nastase, AJ Logsdail, CRA Catlow
Chemical science 11 (26), 6805-6814, 2020
122020
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
72021
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
42021
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
32021
Computational study on the early stages of the Methanol to Hydrocarbons process
SAF Nastase
Cardiff University, 2019
2019
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Articles 1–8