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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: Shape-persistent porous organic cage supported palladium nanoparticles as heterogeneous catalytic materials Year: 2019
Authors (10):
S. K. Beaumont, H. J. Cox, J. S. O. .Evans, E. K. Gibson, S. Jiang, H. Liu, I. S. Metcalfe, B. J. Murdoch, E. I. Papaioannou, C. Tang
Publisher: Nanoscale
DOI: 10.1039/c9nr04553h article-journal
Themes: Design (2019), BAG (2019)
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Title: Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors Year: 2016
Authors (8):
A. Roffey, N. Hollingsworth, H. U. Islam, M. Mercy, G. Sankar, C. R. A. .Catlow, G. Hogarth, N. H. de Leeuw
Publisher: Nanoscale
DOI: 10.1039/c6nr00053c journal-article
Themes: Design (2016)
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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: Nanocubes of Mo6S8 Chevrel phase as active electrode material for aqueous lithium-ion batteries Year: 2022
Authors (8):
A. Elgendy, A. A. Papaderakis, R. Cai, K. Polus, S. J. Haigh, A. S. Walton, D. J. Lewis, R. A. W. .Dryfe
Publisher: Nanoscale
DOI: 10.1039/d2nr02014a journal-article
Themes: Circular Economy (2022)
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Title: Study of CO2 permeation in Zn2+‐modified Al2O3‐carbonate membrane Year: 2023
Authors (2):
L. Qu, E. I. Papaioannou
Publisher: Journal of the American Ceramic Society
DOI: 10.1111/jace.19216 journal-article
Themes: Water-Energy (2023)
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