Title: Probing pore blocking effects on multiphase reactions within porous catalyst particles using a discrete model Year: 2015
Authors (4):
G. Ye, X. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15095 article-journal
Themes: Design (2016)
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Title: Influence of catalyst pore network structure on the hysteresis of multiphase reactions Year: 2016
Authors (5):
G. Ye, X. Zhou, J. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15415 article-journal
Themes: Design (2016)
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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: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation Year: 2019
Authors (6):
J. C. Calderón Gómez, L. Calvillo, V. Celorrio, M. J. Lázaro Elorri, R. Moliner, D. Sebastián
Publisher: Surfaces
DOI: 10.3390/surfaces2010001 article-journal
Themes: Energy (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: 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: 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: 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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