Title: The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects Year: 2018
Authors (3):
A. Chutia, D. J. Willock, C. R. A. .Catlow
Publisher: Faraday Discussions
DOI: 10.1039/c8fd00002f article-journal
Themes: Design (2018)
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Title: Direct Synthesis of Multiplexed Metal‐Nanowire‐Based Devices by Using Carbon Nanotubes as Vector Templates Year: 2019
Authors (16):
P. Clément, X. Xu, C. T. Stoppiello, G. A. Rance, A. Attanzio, J. N. O'Shea, R. H. Temperton, A. N. Khlobystov, K. R. J. .Lovelock, J. M. Seymour, R. M. Fogarty, A. Baker, R. A. Bourne, B. Hall, T. W. Chamberlain, M. Palma
Publisher: Angewandte Chemie
DOI: 10.1002/ange.201902857 journal-article
Themes: Energy (2019)
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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: Approaching a “Naked” Boryl Anion: Amide Metathesis as a Route to Calcium, Strontium, and Potassium Boryl Complexes Year: 2020
Authors (6):
A. V. Protchenko, P. Vasko, M. ÁN. Fuentes, J. Hicks, D. Vidovic, S. Aldridge
Publisher: Angewandte Chemie
DOI: 10.1002/ange.202011839 journal-article
Themes: Transformations (2020)
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Title: Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects Year: 2021
Authors (1):
C. R. A. .Catlow
Publisher: Faraday Discussions
DOI: 10.1039/d1fd00027f article-journal
Themes: Collaborations (2021)
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Title: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study Year: 2021
Authors (3):
M. G. Quesne, C. R. A. .Catlow, N. H. de Leeuw
Publisher: Faraday Discussions
DOI: 10.1039/d1fd00004g article-journal
Themes: New Catalysts (2021)
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Title: Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts Year: 2021
Authors (4):
J. Ruiz Esquius, H. Bahruji, M. Bowker, G. J. Hutchings
Publisher: Faraday Discussions
DOI: 10.1039/d0fd00135j article-journal
Themes: Environment (2021)
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Title: Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ‐13 Crystals Year: 2021
Authors (9):
N. Omori, A. Candeo, S. Mosca, I. Lezcano-González, I. K. Robinson, L. Li, A. G. Greenaway, P. Collier, A. M. Beale
Publisher: Angewandte Chemie
DOI: 10.1002/ange.202015016 article-journal
Themes: Design (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: Spiers Memorial Lecture: Understanding reaction mechanisms in heterogeneously catalysed reactions Year: 2021
Authors (1):
G. J. Hutchings
Publisher: Faraday Discussions
DOI: 10.1039/d1fd00023c article-journal
Themes: Core (2021)
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