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: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data Year: 2020
Authors (14):
A. Vamvakeros, A. A. Coelho, D. Matras, H. Dong, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. ‐C. Dippel, M. Zimmermann, I. Martens, J. Drnec, A. M. Beale, S. D. M. .Jacques
Publisher: Journal of Applied Crystallography
DOI: 10.1107/s1600576720013576 journal-article
Themes: Core (2020)
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Title: Localised electrochemical impedance measurements of a polymer electrolyte fuel cell using a reference electrode array to give cathode-specific measurements and examine membrane hydration dynamics Year: 2018
Authors (8):
E. Engebretsen, G. Hinds, Q. Meyer, T. J. Mason, E. Brightman, L. Castanheira, P. R. Shearing, D. J. L. .Brett
Publisher: Journal of Power Sources
DOI: 10.1016/j.jpowsour.2018.02.022 journal-article
Themes: Energy (2018)
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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: 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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