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: Biocatalytic Routes to Lactone Monomers for Polymer Production Year: 2018
Authors (10):
H. L. Messiha, S. T. Ahmed, V. Karuppiah, R. Suardíaz, G. A. Ascue Avalos, N. Fey, S. Yeates, H. S. Toogood, A. J. Mulholland, N. S. Scrutton
Publisher: Biochemistry
DOI: 10.1021/acs.biochem.8b00169 article-journal
Themes: Biocatalysis (2018)
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Title: Hydrogen production by photoreforming of biofuels using Au, Pd and Au–Pd/TiO2 photocatalysts Year: 2014
Authors (10):
M. Bowker, C. Morton, J. Kennedy, H. Bahruji, J. Greves, W. Jones, P. R. Davies, C. Brookes, P. P. Wells, N. Dimitratos
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2013.04.005 article-journal
Themes: Design (2014)
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Title: Chemical imaging of the sulfur-induced deactivation of Cu/ZnO catalyst bodies Year: 2014
Authors (11):
A. M. Beale, E. K. Gibson, M. G. O’Brien, S. D. M. .Jacques, R. J. Cernik, M. Di Michiel, P. D. Cobden, ÖZ. Pirgon-Galin, L. V. D. Water, M. J. Watson, B. M. Weckhuysen
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2014.04.007 article-journal
Themes: Design (2014)
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Title: Diamond-coated ‘black silicon’ as a promising material for high-surface-area electrochemical electrodes and antibacterial surfaces Year: 2016
Authors (12):
P. W. .May, M. Clegg, T. A. .Silva, H. Zanin, O. Fatibello-Filho, V. Celorrio, D. J. Fermín, C. C. .Welch, G. Hazell, L. Fisher, A. Nobbs, B. Su
Publisher: Journal of Materials Chemistry B
DOI: 10.1039/c6tb01774f article-journal
Themes: Energy (2016)
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Title: Pd/ZnO catalysts for direct CO2 hydrogenation to methanol Year: 2016
Authors (10):
H. Bahruji, M. Bowker, G. J. Hutchings, N. Dimitratos, P. P. Wells, E. K. Gibson, W. Jones, C. Brookes, D. J. Morgan, G. Lalev
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2016.03.017 article-journal
Themes: Environment (2016), BAG (2016)
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Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
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Title: Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3 Year: 2019
Authors (14):
E. K. Dann, E. K. Gibson, C. R. A. .Catlow, V. Celorrio, P. Collier, T. Eralp Erden, M. Amboage, C. Hardacre, C. E. Stere, A. B. Kroner, A. Raj, S. M. Rogers, A. Goguet, P. P. Wells
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2019.03.037 article-journal
Themes: Design (2019)
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Title: Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation Year: 2018
Authors (6):
Y. Liu, A. J. McCue, J. Feng, S. Guan, D. Li, J. A. Anderson
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2018.05.018 article-journal
Themes: BAG (2018)
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