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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: 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: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 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: 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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Title: The effect of metal precursor on copper phase dispersion and nanoparticle formation for the catalytic transformations of furfural Year: 2020
Authors (8):
M. J. Islam, M. Granollers Mesa, A. Osatiashtiani, M. J. Taylor, J. C. Manayil, C. M. A. .Parlett, M. A. Isaacs, G. Kyriakou
Publisher: NA
DOI: 10.1016/j.apcatb.2020.119062 journal-article
Themes: BAG (2020)
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Title: PdCu single atom alloys supported on alumina for the selective hydrogenation of furfural Year: 2021
Authors (8):
M. J. Islam, M. Granollers Mesa, A. Osatiashtiani, J. C. Manayil, M. A. Isaacs, M. J. Taylor, S. Tsatsos, G. Kyriakou
Publisher: NA
DOI: 10.1016/j.apcatb.2021.120652 journal-article
Themes: BAG (2021)
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Title: Integrated carbon capture and utilization: Synergistic catalysis between highly dispersed Ni clusters and ceria oxygen vacancies Year: 2022
Authors (12):
H. Sun, Y. Zhang, C. Wang, M. A. Isaacs, A. I. Osman, Y. Wang, D. Rooney, Y. Wang, Z. Yan, C. M. A. .Parlett, F. Wang, C. Wu
Publisher: NA
DOI: 10.1016/j.cej.2022.135394 journal-article
Themes: BAG (2022)
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