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: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: 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: Modern Developments in Catalysis (Volume 2) Year: 2023
Authors (9):
G. J. Hutchings, M. G. Davidson, C. R. A. .Catlow, C. Hardacre, N. J. Turner, C. K. Williams, A. J. Mulholland, J. B. M. .Goodall, C. Mitchell
Publisher: World Scientific Europe
DOI: 10.1142/q0354 edited-book
Themes: Core (2023)
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Title: Oxide-supported metal catalysts for anaerobic NAD+ regeneration with concurrent hydrogen production Year: 2024
Authors (5):
J. Li, J. W. H. .Burnett, C. M. Macias, R. F. Howe, X. Wang
Publisher: Chinese Chemical Letters
DOI: 10.1016/j.cclet.2023.108737 journal-article
Themes: Water-Energy (2024)
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