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: Understanding the role of promoters in catalysis: operando XAFS/DRIFTS study of CeOx/Pt/Al2O3 during CO oxidation Year: 2017
Authors (6):
E. K. Gibson, E. M. .Crabb, D. Gianolio, A. E. Russell, D. Thompsett, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1080/2055074x.2017.1278890 article-journal
Themes: Design (2017), BAG (2017)
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Title: Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2and Au-Ag/TiO2catalysts Year: 2014
Authors (8):
J. Kennedy, W. Jones, D. J. Morgan, M. Bowker, L. Lu, C. J. Kiely, P. P. Wells, N. Dimitratos
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000006 article-journal
Themes: Design (2015)
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Title: Selectivity determinants for dual function catalysts: applied to methanol selective oxidation on iron molybdate Year: 2015
Authors (6):
M. Bowker, M. House, A. Alshehri, C. Brookes, E. K. Gibson, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075815y.0000000002 article-journal
Themes: Design (2015), BAG (2015)
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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: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications Year: 2014
Authors (4):
A. M. Beale, I. Lezcano-González, T. Maunula, R. G. Palgrave
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000005 article-journal
Themes: BAG (2014)
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Title: Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity Year: 2021
Authors (11):
M. Panchal, J. Callison, V. Skukauskas, D. Gianolio, G. Cibin, A. P. E. .York, M. E. Schuster, T. I. Hyde, P. Collier, C. R. A. .Catlow, E. K. Gibson
Publisher: Journal of Physics: Condensed Matter
DOI: 10.1088/1361-648x/abfe16 article-journal
Themes: Core (2021)
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Title: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (2021)
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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: Catalytic mechanism of the colistin resistance protein MCR-1 Year: 2021
Authors (7):
R. Suardíaz, E. Lythell, P. Hinchliffe, M. W. van der Kamp, J. Spencer, N. Fey, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/d0ob02566f journal-article
Themes: Biocatalysis (2021)
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