Title: Influence of TiO2 structural properties on photocatalytic hydrogen gas production Year: 2019
Authors (3):
H. Bahruji, M. Bowker, P. R. Davies
Publisher: Journal of Chemical Sciences
DOI: 10.1007/s12039-019-1608-7 article-journal
Themes: Design (2019), Environment (2019)
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Title: Identification of single-site gold catalysis in acetylene hydrochlorination Year: 2017
Authors (15):
G. Malta, S. A. Kondrat, S. J. Freakley, C. J. Davies, L. Lu, S. Dawson, A. Thetford, E. K. Gibson, D. J. Morgan, W. Jones, P. P. Wells, P. Johnston, C. R. A. .Catlow, C. J. Kiely, G. J. Hutchings
Publisher: Science
DOI: 10.1126/science.aal3439 article-journal
Themes: Design (2017), Environment (2017), BAG (2017), Featured (2017)
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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: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: Rapid Plasma Exsolution from an A‐site Deficient Perovskite Oxide at Room Temperature Year: 2022
Authors (12):
H. Khalid, A. U. Haq, B. Alessi, J. Wu, C. D. Savaniu, K. Kousi, I. S. Metcalfe, S. C. Parker, J. T. S. .Irvine, P. Maguire, E. I. Papaioannou, D. Mariotti
Publisher: Advanced Energy Materials
DOI: 10.1002/aenm.202201131 journal-article
Themes: Circular Economy (2022)
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