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: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Year: 2021
Authors (11):
M. Ortmayer, F. J. Hardy, M. G. Quesne, K. Fisher, C. W. Levy, D. J. Heyes, C. R. A. .Catlow, S. P. de Visser, S. E. J. .Rigby, S. Hay, A. P. Green
Publisher: JACS Au
DOI: 10.1021/jacsau.1c00145 article-journal
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: Surfactant-free Synthesis of Spiky Hollow Ag–Au Nanostars with Chemically Exposed Surfaces for Enhanced Catalysis and Single-Particle SERS Year: 2021
Authors (11):
Z. Ye, C. Li, M. Celentano, M. Lindley, T. O’Reilly, A. J. Greer, Y. Huang, C. Hardacre, S. J. Haigh, Y. Xu, S. E. J. .Bell
Publisher: JACS Au
DOI: 10.1021/jacsau.1c00462 journal-article
Themes: Collaborations (2021)
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Title: Direct air capture: process technology, techno-economic and socio-political challenges Year: 2022
Authors (6):
M. Erans, E. S. Sanz-Pérez, D. P. Hanak, Z. Clulow, D. M. Reiner, G. A. Mutch
Publisher: Energy & Environmental Science
DOI: 10.1039/d1ee03523a journal-article
Themes: Circular Economy (2022)
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Title: Potassium-Promoted Limestone for Preferential Direct Hydrogenation of Carbonates in Integrated CO2 Capture and Utilization Year: 2023
Authors (9):
S. Sun, Z. Chen, Y. Xu, Y. Wang, Y. Zhang, C. Dejoie, S. Xu, X. Xu, C. Wu
Publisher: JACS Au
DOI: 10.1021/jacsau.3c00403 journal-article
Themes: Core (2023)
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