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: Catalysts for the Selective Oxidation of Methanol Year: 2016
Authors (3):
C. Brookes, M. Bowker, P. P. Wells
Publisher: Catalysts
DOI: 10.3390/catal6070092 article-journal
Themes: BAG (2016)
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Title: Synchrotron Radiation and Catalytic Science Year: 2020
Authors (11):
C. Hardacre, A. M. Beale, E. K. Gibson, J. B. M. .Goodall, A. Goguet, S. A. Kondrat, G. Malta, C. E. Stere, P. P. Wells, G. J. Hutchings, C. R. A. .Catlow
Publisher: Synchrotron Radiation News
DOI: 10.1080/08940886.2020.1701368 article-journal
Themes: Core (2020), Collaborations (2020), Featured (2020)
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Title: Investigations of Carbon Nitride-Supported Mn3O4 Oxide Nanoparticles for ORR Year: 2020
Authors (8):
A. I. Large, S. Wahl, S. Abate, I. da Silva, J. J. Delgado Jaen, N. Pinna, G. Held, R. Arrigo
Publisher: Catalysts
DOI: 10.3390/catal10111289 article-journal
Themes: Design (2020)
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Title: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study Year: 2020
Authors (4):
C. Collett, O. řE. Mašek, N. Razali, J. McGregor
Publisher: Catalysts
DOI: 10.3390/catal10091067 journal-article
Themes: New Catalysts (2020)
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Title: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents Year: 2021
Authors (2):
N. Razali, J. McGregor
Publisher: Catalysts
DOI: 10.3390/catal11010138 journal-article
Themes: New Catalysts (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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Title: Reactions of a Dimethylxanthene‐Derived Frustrated Lewis Pair with Silanes and Stannanes Year: 2022
Authors (5):
I. A. Zulkifly, A. V. Protchenko, M. ÁN. Fuentes, J. Hicks, S. Aldridge
Publisher: Zeitschrift für anorganische und allgemeine Chemie
DOI: 10.1002/zaac.202200110 journal-article
Themes: Transformations (2022)
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Title: Inorganic Salt Catalysed Hydrothermal Carbonisation (HTC) of Cellulose Year: 2022
Authors (2):
J. M. Hammerton, A. B. Ross
Publisher: Catalysts
DOI: 10.3390/catal12050492 journal-article
Themes: Design (2022)
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Title: Precious-metal-free catalyst could afford cost-effective green hydrogen Year: 2022
Authors (2):
L. A. King, Y. N. Regmi
Publisher: Chem
DOI: 10.1016/j.chempr.2022.05.012 journal-article
Themes: Water-Energy (2022)
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