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: 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: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst Year: 2022
Authors (11):
A. Zachariou, A. P. Hawkins, R. F. Howe, J. M. S. .Skakle, N. S. Barrow, P. Collier, D. W. Nye, R. I. Smith, G. B. G. .Stenning, S. F. Parker, D. Lennon
Publisher: ACS Physical Chemistry Au
DOI: 10.1021/acsphyschemau.2c00040 journal-article
Themes: Design (2022)
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Title: Bimetallic PdAu Catalysts within Hierarchically Porous Architectures for Aerobic Oxidation of Benzyl Alcohol Year: 2021
Authors (5):
P. Verma, M. E. Potter, A. E. Oakley, P. M. Mhembere, R. Raja
Publisher: Nanomaterials
DOI: 10.3390/nano11020350 journal-article
Themes: BAG (2021)
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Title: Nanostructured Solid/Liquid Acid Catalysts for Glycerol Esterification: The Key to Convert Liability into Assets Year: 2024
Authors (4):
J. Keogh, P. Inrirai, N. Artioli, H. G. Manyar
Publisher: Nanomaterials
DOI: 10.3390/nano14070615 journal-article
Themes: Water-Energy (2024)
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