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: Hydrocracking of virgin and post-consumer polymers Year: 2021
Authors (3):
A. B. Jumah, A. A. Tedstone, A. A. Garforth
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2021.110912 journal-article
Themes: Circular Economy (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: 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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Title: Structural investigations in pure-silica and Al-ZSM-12 with MTEA or TEA cations Year: 2018
Authors (8):
M. Počkaj, A. Meden, N. šA. Zabukovec Logar, M. Rangus, G. Mali, I. Lezcano-González, A. M. Beale, A. Golobič
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.12.015 article-journal
Themes: Design (2018)
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Title: On the synthesis and performance of hierarchical nanoporous TS-1 catalysts Year: 2017
Authors (6):
A. -L. Adedigba, G. Sankar, C. R. A. .Catlow, Y. Du, S. Xi, A. Borgna
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.02.048 article-journal
Themes: Design (2017)
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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: Biobutanol as Fuel for Direct Alcohol Fuel Cells—Investigation of Sn-Modified Pt Catalyst for Butanol Electro-oxidation Year: 2016
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.6b02863 article-journal
Themes: Energy (2016)
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