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: Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support Year: 2022
Authors (5):
S. Sun, H. Sun, S. Guan, S. Xu, C. Wu
Publisher: Fuel
DOI: 10.1016/j.fuel.2022.123420 journal-article
Themes: Core (2022)
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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: Green synthesis of glycerol carbonate via transesterification of glycerol using mechanochemically prepared sodium aluminate catalysts Year: 2022
Authors (3):
J. Keogh, G. Deshmukh, H. G. Manyar
Publisher: Fuel
DOI: 10.1016/j.fuel.2021.122484 journal-article
Themes: Water-Energy (2022)
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Title: A Low‐Temperature Synthetic Route Toward a High‐Entropy 2D Hexernary Transition Metal Dichalcogenide for Hydrogen Evolution Electrocatalysis Year: 2023
Authors (16):
J. Qu, A. Elgendy, R. Cai, M. A. Buckingham, A. A. Papaderakis, H. de Latour, K. Hazeldine, G. F. S. .Whitehead, F. Alam, C. T. Smith, D. J. Binks, A. S. Walton, J. M. Skelton, R. A. W. .Dryfe, S. J. Haigh, D. J. Lewis
Publisher: Advanced Science
DOI: 10.1002/advs.202204488 journal-article
Themes: Circular Economy (2023)
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Title: Dielectric Barrier Plasma Discharge Exsolution of Nanoparticles at Room Temperature and Atmospheric Pressure Year: 2024
Authors (13):
A. ul Haq, F. Fanelli, L. Bekris, A. M. Martin, S. Lee, H. Khalid, C. D. Savaniu, K. Kousi, I. S. Metcalfe, J. T. S. .Irvine, P. Maguire, E. I. Papaioannou, D. Mariotti
Publisher: Advanced Science
DOI: 10.1002/advs.202402235 journal-article
Themes: Circular Economy (2024)
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