Title: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors Year: 2017
Authors (11):
E. K. Dann, E. K. Gibson, C. R. A. .Catlow, P. Collier, T. Eralp Erden, D. Gianolio, C. Hardacre, A. B. Kroner, A. Raj, A. Goguet, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.7b02552 article-journal
Themes: Design (2017), BAG (2017)
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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: Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach Year: 2015
Authors (11):
E. K. Gibson, A. M. Beale, C. R. A. .Catlow, A. Chutia, D. Gianolio, A. L. Gould, A. B. Kroner, K. M. H. .Mohammed, M. Perdjon, S. M. Rogers, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.5b00866 article-journal
Themes: Design (2015), BAG (2015)
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Title: Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization Year: 2015
Authors (8):
J. -C. Buffet, N. Wanna, T. A. Q. .Arnold, E. K. Gibson, P. P. Wells, Q. Wang, J. Tantirungrotechai, D. O’Hare
Publisher: Chemistry of Materials
DOI: 10.1021/cm503433q article-journal
Themes: Design (2015), BAG (2015)
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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: Understanding the molecular basis for the controlled design of ruthenium nanoparticles in microporous aluminophosphates Year: 2016
Authors (5):
M. E. Potter, J. M. Purkis, M. Perdjon, P. P. Wells, R. Raja
Publisher: Molecular Systems Design & Engineering
DOI: 10.1039/c6me00061d article-journal
Themes: BAG (2016)
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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: 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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