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Number of items: 7.

Omojola, Toyin, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, van Veen, André C. and Nastase, Stefan Adrian F. 2021. A quantitative multiscale perspective on primary olefin formation from methanol. Physical Chemistry Chemical Physics 23 (38) , pp. 21437-21469. 10.1039/D1CP02551A
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Nastase, Stefan A. F., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Catlow, C. Richard A. 2021. QM/MM study of the reactivity of zeolite bound methoxy and carbene groups. Physical Chemistry Chemical Physics 23 (32) , pp. 17634-17644. 10.1039/D1CP02535J
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Nastase, Stefan Adrian F., Catlow, C. Richard A. and Logsdail, Andrew J ORCID: https://orcid.org/0000-0002-2277-415X 2021. QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y. Physical Chemistry Chemical Physics 23 (3) , pp. 2088-2096. 10.1039/D0CP05392A
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Matam, Santhosh K., Nastase, Stefan A. F., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Catlow, C. Richard. A ORCID: https://orcid.org/0000-0002-1341-1541 2020. Methanol loading dependent methoxylation in zeolite H-ZSM-5. Chemical Science 11 (26) , pp. 6805-6814. 10.1039/D0SC01924K
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Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2020. Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations. ACS Catalysis 10 , pp. 8904-8915. 10.1021/acscatal.0c01454
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Nastase, Stefan Adrian, O'Malley, A. J., Catlow, Charles . R. A. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 2019. Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5. Physical Chemistry Chemical Physics 21 (5) , pp. 2639-2650. 10.1039/C8CP06736H
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Nastase, Stefan Adrian F. 2019. Computational study on the early stages of the Methanol to Hydrocarbons process. PhD Thesis, Cardiff University.
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