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: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
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Title: Mechanistic Aspects of Hydrodeoxygenation of p-Methylguaiacol over Rh/Silica and Pt/Silica Year: 2018
Authors (7):
F. P. Bouxin, X. Zhang, I. N. Kings, A. F. Lee, M. J. .H. .Simmons, K. Wilson, S. D. Jackson
Publisher: Organic Process Research & Development
DOI: 10.1021/acs.oprd.8b00211 article-journal
Themes: Energy (2018)
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Title: Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite Year: 2020
Authors (17):
L. Lin, A. M. Sheveleva, I. da Silva, C. M. A. .Parlett, Z. Tang, Y. Liu, M. Fan, X. Han, J. H. Carter, F. Tuna, E. J. L. .McInnes, Y. Cheng, L. L. Daemen, S. Rudić, A. J. Ramirez-Cuesta, C. C. Tang, S. Yang
Publisher: Nature Materials
DOI: 10.1038/s41563-019-0562-6 article-journal
Themes: BAG (2020)
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Title: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts Year: 2020
Authors (12):
I. Lezcano-González, E. Campbell, A. E. . J. .Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Arán, E. K. Gibson, A. G. Greenaway, K. De Wispelaere, V. Van Speybroeck, A. M. Beale
Publisher: Nature Materials
DOI: 10.1038/s41563-020-0800-y article-journal
Themes: Featured (2020), Design (2020)
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Title: Rapid synthesis of [Au25(Cys)18] nanoclusters via carbon monoxide in microfluidic liquid-liquid segmented flow system and their antimicrobial performance Year: 2020
Authors (9):
H. Huang, G. B. Hwang, G. Wu, K. Karu, H. Du Toit, H. Wu, J. Callison, I. P. Parkin, A. Gavriilidis
Publisher: Chemical Engineering Journal
DOI: 10.1016/j.cej.2019.123176 article-journal
Themes: Core (2020)
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Title: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma Year: 2021
Authors (18):
S. Xu, X. Han, Y. Ma, T. D. Duong, L. Lin, E. K. Gibson, A. M. Sheveleva, S. Chansai, A. S. Walton, D. -T. Ngo, M. D. Frogley, C. C. Tang, F. Tuna, E. J. L. .McInnes, C. R. A. .Catlow, C. Hardacre, S. Yang, M. Schröder
Publisher: Cell Reports Physical Science
DOI: 10.1016/j.xcrp.2021.100349 article-journal
Themes: Featured (2021), Core (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: Electrochemical separation processes for future societal challenges Year: 2022
Authors (1):
G. A. Mutch
Publisher: Cell Reports Physical Science
DOI: 10.1016/j.xcrp.2022.100844 journal-article
Themes: Circular Economy (2022)
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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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