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: Designing metal nanoparticles for catalysis Year: 2017
Authors (1):
S. M. Rogers
Publisher: UCL Discovery
DOI: phd-thesis
Themes: BAG (2017), Theses (2017)
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Title: Switchable Polymerization Catalysis Using a Tin(II) Catalyst and Commercial Monomers to Toughen Poly(l-lactide) Year: 2021
Authors (4):
N. Yuntawattana, G. L. Gregory, L. P. ñA. Carrodeguas, C. K. Williams
Publisher: ACS Macro Letters
DOI: 10.1021/acsmacrolett.1c00216 journal-article
Themes: Circular Economy (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: 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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