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: Modelling the kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ photocatalytic films Year: 2022
Authors (3):
S. Alofi, C. O'Rourke, A. Mills
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2022.118899 journal-article
Themes: Water-Energy (2022)
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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: Contrasting structure-property relationships in amorphous, hierarchical and microporous aluminophosphate catalysts for Claisen-Schmidt condensation reactions Year: 2021
Authors (5):
H. Annath, J. C. Manayil, J. M. Thompson, A. C. Marr, R. Raja
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2021.118376 journal-article
Themes: Design (2021)
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Title: Structured Ni@NaA zeolite supported on silicon carbide foam catalysts for catalytic carbon dioxide methanation Year: 2020
Authors (8):
R. Zhang, H. Chen, Y. Mu, S. Chansai, X. Ou, C. Hardacre, Y. Jiao, X. Fan
Publisher: AIChE Journal
DOI: 10.1002/aic.17007 article-journal
Themes: Water-Energy (2020)
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Title: Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering Year: 2019
Authors (11):
A. Zachariou, A. P. Hawkins, D. Lennon, S. F. Parker, Suwardiyanto, S. K. Matam, C. R. A. .Catlow, P. Collier, A. Hameed, J. McGregor, R. F. Howe
Publisher: Applied Catalysis A: General
DOI: 10.1016/j.apcata.2018.10.010 article-journal
Themes: Design (2019)
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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: 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: Optimizing catalyst pore network structure in the presence of deactivation by coking Year: 2019
Authors (6):
G. Ye, H. Wang, X. Zhou, F. J. Keil, M. -O. Coppens, W. Yuan
Publisher: AIChE Journal
DOI: 10.1002/aic.16687 article-journal
Themes: Design (2019)
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Title: Pore network modeling of catalyst deactivation by coking, from single site to particle, during propane dehydrogenation Year: 2019
Authors (7):
G. Ye, H. Wang, X. Duan, Z. Sui, X. Zhou, M. -O. Coppens, W. Yuan
Publisher: AIChE Journal
DOI: 10.1002/aic.16410 journal-article
Themes: Design (2019)
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