Title: Precious Metal Free Hydrogen Evolution Catalyst Design and Application Year: 2024
Authors (6):
A. A. Feidenhans’l, Y. N. Regmi, C. Wei, D. Xia, J. Kibsgaard, L. A. King
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.3c00712 journal-article
Themes: Water-Energy (2024)
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Title: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst Year: 2022
Authors (11):
A. Zachariou, A. P. Hawkins, R. F. Howe, J. M. S. .Skakle, N. S. Barrow, P. Collier, D. W. Nye, R. I. Smith, G. B. G. .Stenning, S. F. Parker, D. Lennon
Publisher: ACS Physical Chemistry Au
DOI: 10.1021/acsphyschemau.2c00040 journal-article
Themes: Design (2022)
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Title: Computational investigation of the structures and energies of microporous materials Year: 2022
Authors (3):
E. Stacey, M. G. Quesne, C. R. A. .Catlow
Publisher: Elsevier Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2022.112382 journal-article
Themes: New Catalysts (2022)
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Title: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 journal-article
Themes: BAG (2022)
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Title: Catalytic mechanism of the colistin resistance protein MCR-1 Year: 2021
Authors (7):
R. Suardíaz, E. Lythell, P. Hinchliffe, M. W. van der Kamp, J. Spencer, N. Fey, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/d0ob02566f journal-article
Themes: Biocatalysis (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: Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts Year: 2020
Authors (10):
M. Sankar, Q. He, R. V. Engel, M. A. Sainna, A. J. Logsdail, A. Roldan, D. J. Willock, N. Agarwal, C. J. Kiely, G. J. Hutchings
Publisher: Chemical Reviews
DOI: 10.1021/acs.chemrev.9b00662 journal-article
Themes: Core (2020)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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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: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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