Title: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations Year: 2020
Authors (7):
S. A. F. .Nastase, P. Cnudde, L. Vanduyfhuys, K. De Wispelaere, V. Van Speybroeck, C. R. A. .Catlow, A. J. Logsdail
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01454 journal-article
Themes: Collaborations (2020)
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Title: Isolated Pd Sites as Selective Catalysts for Electrochemical and Direct Hydrogen Peroxide Synthesis Year: 2020
Authors (7):
M. Ledendecker, E. Pizzutilo, G. Malta, G. V. Fortunato, K. J. J. .Mayrhofer, G. J. Hutchings, S. J. Freakley
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01305 journal-article
Themes: BAG (2020)
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Title: Impact of Nanoparticle–Support Interactions in Co3O4/Al2O3 Catalysts for the Preferential Oxidation of Carbon Monoxide Year: 2019
Authors (9):
T. M. Nyathi, N. Fischer, A. P. E. .York, D. J. Morgan, G. J. Hutchings, E. K. Gibson, P. P. Wells, C. R. A. .Catlow, M. Claeys
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.9b00685 article-journal
Themes: New Catalysts (2019)
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Title: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy Year: 2019
Authors (8):
I. B. Minova, S. K. Matam, A. G. Greenaway, C. R. A. .Catlow, M. D. Frogley, G. Cinque, P. A. Wright, R. F. Howe
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.9b01820 article-journal
Themes: Design (2019)
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Title: In situ synthesized low-PtCo@porous carbon catalyst for highly efficient hydrogen evolution Year: 2019
Authors (8):
J. Callison, S. Gadipelli, J. Guo, Z. Guo, X. Han, L. Kang, Y. Qin, S. Wu
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta12263f article-journal
Themes: Design (2019)
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Title: Water-Induced Formation of Cobalt-Support Compounds under Simulated High Conversion Fischer–Tropsch Environment Year: 2019
Authors (7):
C. R. A. .Catlow, M. Claeys, N. Fischer, E. K. Gibson, J. H. Neethling, E. J. Olivier, M. Wolf
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.9b00160 article-journal
Themes: Collaborations (2019), BAG (2019)
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Title: Enantioselective Synthesis of Chiral Vicinal Amino Alcohols Using Amine Dehydrogenases Year: 2019
Authors (9):
F. -F. Chen, S. C. Cosgrove, W. R. Birmingham, J. Mangas-Sanchez, J. Citoler, M. P. Thompson, G. -W. Zheng, J. -H. Xu, N. J. Turner
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.9b03889 article-journal
Themes: Biocatalysis (2019)
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Title: Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality Year: 2019
Authors (7):
S. J. Bennie, K. E. Ranaghan, H. M. Deeks, H. E. Goldsmith, M. B. O’Connor, A. J. Mulholland, D. R. Glowacki
Publisher: Journal of Chemical Education
DOI: 10.1021/acs.jchemed.9b00181 journal-article
Themes: Biocatalysis (2019)
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Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping Year: 2018
Authors (17):
C. G. Acevedo-Rocha, C. G. Gamble, R. Lonsdale, A. Li, N. Nett, S. Hoebenreich, J. B. Lingnau, C. Wirtz, C. Fares, H. Hinrichs, A. Deege, A. J. Mulholland, Y. Nov, D. Leys, K. J. McLean, A. W. Munro, M. T. Reetz
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.8b00389 article-journal
Themes: Biocatalysis (2018)
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