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: Stabilizing efficient structures of superwetting electrocatalysts for enhanced urea oxidation reactions Year: 2022
Authors (11):
J. Zhang, X. Song, L. Kang, J. Zhu, L. Liu, Q. Zhang, D. J. L. .Brett, P. R. Shearing, L. Mai, I. P. Parkin, G. He
Publisher: Chem Catalysis
DOI: 10.1016/j.checat.2022.09.023 journal-article
Themes: BAG (2022)
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Title: Microbial Reduction of Antimony(V)-Bearing Ferrihydrite by Geobacter sulfurreducens Year: 2023
Authors (6):
J. Xie, V. S. Coker, B. O'Driscoll, R. Cai, S. J. Haigh, J. R. Lloyd
Publisher: NA
DOI: 10.1128/aem.02175-22 journal-article
Themes: Circular Economy (2023)
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Title: Cobalt atom sites anchored on sulfhydryl decorated UiO-66 to activate peroxymonosulfate for norfloxacin degradation Year: 2023
Authors (9):
H. Wang, C. Wang, X. Wang, Q. Chen, S. Liu, R. Cai, S. J. Haigh, Y. Sun, D. Yang
Publisher: NA
DOI: 10.1016/j.jece.2022.108972 journal-article
Themes: Circular Economy (2023)
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Title: On the transition to gasoline-to-olefins chemistry in the cracking reactions of 1-octene over H-ZSM-5 catalysts Year: 2023
Authors (7):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, N. S. Barrow, R. F. Howe, D. Lennon
Publisher: NA
DOI: 10.1016/j.apcata.2023.119442 journal-article
Themes: New Catalysts (2023)
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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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Title: XPS surface analysis of ceria-based materials: Experimental methods and considerations Year: 2023
Authors (6):
M. A. Isaacs, C. Drivas, R. Lee, R. G. Palgrave, C. M. A. .Parlett, D. J. Morgan
Publisher: NA
DOI: 10.1016/j.apsadv.2023.100469 journal-article
Themes: New Catalysts (2023)
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