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: Adams Method Prepared Metal Oxide Catalysts for Solar-Driven Water Splitting Year: 2018
Authors (4):
M. P. Browne, C. O'Rourke, N. Wells, A. Mills
Publisher: ChemPhotoChem
DOI: 10.1002/cptc.201700210 article-journal
Themes: Energy (2018)
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Title: Heterogeneously Catalyzed Hydrothermal Processing of C5–C6 Sugars Year: 2016
Authors (3):
X. Zhang, K. Wilson, A. F. Lee
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.6b00311 article-journal
Themes: Energy (2016), Transformations (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: Solution Processing Route to Multifunctional Titania Thin Films: Highly Conductive and Photcatalytically Active Nb:TiO2 Year: 2014
Authors (12):
D. S. Bhachu, S. Sathasivam, G. Sankar, D. O. Scanlon, G. Cibin, C. J. Carmalt, I. P. Parkin, G. W. Watson, S. M. Bawaked, A. Y. Obaid, S. Al-Thabaiti, S. N. Basahel
Publisher: Advanced Functional Materials
DOI: 10.1002/adfm.201400338 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: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: Core (2021)
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Title: Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts Year: 2020
Authors (10):
M. Sankar, Q. He, R. V. Engel, M. A. Sainna, A. J. Logsdail, A. Roldan, D. J. Willock, N. Agarwal, C. J. Kiely, G. J. Hutchings
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.9b00662 journal-article
Themes: Core (2020)
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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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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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