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: 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: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (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: Low‐Temperature Exsolution of Ni–Ru Bimetallic Nanoparticles from A‐Site Deficient Double Perovskites Year: 2022
Authors (7):
J. Guo, R. Cai, E. Cali, G. E. Wilson, G. Kerherve, S. J. Haigh, S. J. Skinner
Publisher: Small
DOI: 10.1002/smll.202107020 journal-article
Themes: Circular Economy (2022)
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Title: Production of CH4 and CO on CuxO and NixOy coatings through CO2 photoreduction Year: 2022
Authors (5):
M. A. Ávila-López, J. Z. Y. .Tan, E. Luévano-Hipólito, L. M. Torres-Martínez, M. M. Maroto-Valer
Publisher: Journal of Environmental Chemical Engineering
DOI: 10.1016/j.jece.2022.108199 journal-article
Themes: Collaborations (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: 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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