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: Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells Year: 2022
Authors (16):
M. Z. Mokhtar, A. Altujjar, B. Wang, Q. Chen, J. C. -R. Ke, R. Cai, N. Zibouche, B. F. Spencer, J. Jacobs, A. G. Thomas, D. Hall, S. J. Haigh, D. J. Lewis, R. Curry, M. S. Islam, B. R. Saunders
Publisher: Communications Materials
DOI: 10.1038/s43246-022-00299-3 journal-article
Themes: Circular Economy (2022)
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Title: Catalytic Adventures in Space and Time Using High Energy X-rays Year: 2014
Authors (8):
M. A. Newton, M. Di Michiel, D. Ferri, M. Fernàndez-Garcia, A. M. Beale, S. D. M. .Jacques, P. J. Chupas, K. W. Chapman
Publisher: Catalysis Surveys from Asia
DOI: 10.1007/s10563-014-9173-z journal-article
Themes: Design (2014)
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