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: Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports Year: 2022
Authors (6):
S. Sun, C. Zhang, S. Guan, S. Xu, P. T. Williams, C. Wu
Publisher: Separation and Purification Technology
DOI: 10.1016/j.seppur.2022.121604 journal-article
Themes: Core (2022)
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Title: Operando HERFD-XANES/XES studies reveal differences in the activity of Fe-species in MFI and CHA structures for the standard selective catalytic reduction of NO with NH3 Year: 2019
Authors (7):
M. Agote-Arán, I. Lezcano-González, A. G. Greenaway, S. Hayama, S. Díaz-Moreno, A. B. Kroner, A. M. Beale
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2018.11.026 article-journal
Themes: Design (2019)
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Title: Photo-induced absorption spectroscopy (PIAS) study of the kinetics of water oxidation by P25 TiO2 using periodate as an electron acceptor Year: 2022
Authors (3):
J. Johnston, C. O'Rourke, A. Mills
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2022.118817 journal-article
Themes: Water-Energy (2022)
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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: 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: 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: Supercritical antisolvent precipitation of TiO2 with tailored anatase/rutile composition for applications in redox catalysis and photocatalysis Year: 2015
Authors (13):
R. P. Marin, S. Ishikawa, H. Bahruji, G. M. Shaw, S. A. Kondrat, P. J. Miedziak, D. J. Morgan, S. H. Taylor, J. K. Bartley, J. K. Edwards, M. Bowker, W. Ueda, G. J. Hutchings
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2015.02.023 article-journal
Themes: Environment (2015)
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