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: Insights into the durability of Co–Fe spinel oxygen evolution electrocatalystsvia operandostudies of the catalyst structure Year: 2018
Authors (11):
L. Calvillo, F. Carraro, O. Vozniuk, V. Celorrio, L. Nodari, A. E. Russell, D. Debellis, D. J. Fermín, F. Cavani, S. Agnoli, G. Granozzi
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c7ta10892c article-journal
Themes: Design (2018)
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Title: Design and control of Lewis acid sites in Sn-substituted microporous architectures Year: 2016
Authors (8):
K. M. H. .Mohammed, A. Chutia, J. Callison, P. P. Wells, E. K. Gibson, A. M. Beale, C. R. A. .Catlow, R. Raja
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c5ta10283a article-journal
Themes: Design (2016), BAG (2016)
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Title: Tellurium-doped lanthanum manganite as catalysts for the oxygen reduction reaction Year: 2017
Authors (5):
V. Celorrio, L. J. Morris, M. Cattelan, N. A. .Fox, D. J. Fermín
Publisher: MRS Communications
DOI: 10.1557/mrc.2017.22 article-journal
Themes: Energy (2017)
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Title: Catalytic applications of waste derived materials Year: 2016
Authors (3):
J. A. Bennett, K. Wilson, A. F. Lee
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c5ta09613h article-journal
Themes: Energy (2016)
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Title: Synthetic strategies to nanostructured photocatalysts for CO2reduction to solar fuels and chemicals Year: 2015
Authors (3):
D. Chen, X. Zhang, A. F. Lee
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c5ta01592h article-journal
Themes: Energy (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: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization Year: 2019
Authors (11):
N. Abdullah, M. Briceno de Gutierrez, C. R. A. .Catlow, P. Collier, D. Decarolis, N. Dimitratos, S. Hayama, S. M. Rogers, G. F. Tierney, A. Villa, P. P. Wells
Publisher: Nanoscale Advances
DOI: 10.1039/c9na00159j 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: Determining the importance of the electrode support and fabrication method during the initial screening process of an active catalyst for the oxygen evolution reaction Year: 2018
Authors (2):
M. P. Browne, A. Mills
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta02908c article-journal
Themes: Energy (2018)
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