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: Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers Year: 2019
Authors (3):
S. T. Ahmed, N. G. H. .Leferink, N. S. Scrutton
Publisher: Molecular Catalysis
DOI: 10.1016/j.mcat.2019.01.036 article-journal
Themes: Biocatalysis (2019)
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Title: Integration of supercapacitors into printed circuit boards Year: 2018
Authors (13):
D. I. Abouelamaiem, D. J. L. .Brett, G. He, S. Ji, A. B. Jorge, T. J. Mason, J. Millichamp, T. P. Neville, I. P. Parkin, L. Rasha, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.06.016 article-journal
Themes: Collaborations (2018)
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Title: New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors Year: 2018
Authors (15):
D. I. Abouelamaiem, D. J. L. .Brett, D. Cazorla-Amorós, G. He, S. Ji, A. B. Jorge, D. Lozano-Castelló, E. Morallón, M. J. Mostazo-López, T. P. Neville, I. P. Parkin, D. Patel, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.08.014 article-journal
Themes: Collaborations (2018)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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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: Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst Year: 2022
Authors (8):
I. B. Minova, M. Bühl, S. K. Matam, C. R. A. .Catlow, M. D. Frogley, G. Cinque, P. A. Wright, R. F. Howe
Publisher: Catalysis Science & Technology
DOI: 10.1039/d1cy02361f journal-article
Themes: New Catalysts (2022)
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Title: Local and nanoscale methanol mobility in different H-FER catalysts Year: 2022
Authors (9):
A. J. .Porter, C. H. .Botchway, B. Kwakye-Awuah, C. Hernandez-Tamargo, S. K. Matam, S. L. .McHugh, I. P. Silverwood, N. H. de Leeuw, A. J. O'Malley
Publisher: Catalysis Science & Technology
DOI: 10.1039/d1cy02001c journal-article
Themes: New Catalysts (2022)
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Title: A Workflow Demonstrator for Processing Catalysis Research Data Year: 2022
Authors (8):
A. Nieva de la Hidalga, D. Decarolis, S. Xu, S. K. Matam, W. Y. H. Enciso, J. B. M. .Goodall, B. Matthews, C. R. A. .Catlow
Publisher: Data Intelligence
DOI: 10.1162/dint_a_00143 journal-article
Themes: Core (2022), New Catalysts (2022)
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Title: Dry reforming of methane on bimetallic Pt–Ni@CeO2 catalyst: a in situ DRIFTS-MS mechanistic study Year: 2021
Authors (7):
H. Chen, S. Chansai, S. Xu, S. Xu, Y. Mu, C. Hardacre, X. Fan
Publisher: Catalysis Science & Technology
DOI: 10.1039/d1cy00382h journal-article
Themes: Core (2021), New Catalysts (2021)
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