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: Improving Synchrotron Methods for Advanced Characterisation of Heterogeneous Catalysts Year: 2019
Authors (1):
E. K. Dann
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Metal oxide preparation for heterogeneous catalysis Year: 2019
Authors (1):
W. T. Wallace
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Easy access to oxygenated block polymers via switchable catalysis Year: 2019
Authors (4):
T. Stößer, G. S. Sulley, G. L. Gregory, C. K. Williams
Publisher: Nature Communications
DOI: 10.1038/s41467-019-10481-w journal-article
Themes: Transformations (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: Effect of precious metal particle size and support type on catalytic activity as revealed by X-ray methods. Year: 2019
Authors (1):
D. Decarolis
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Development of Chemical Imaging Methods for Application to the Study of Methane Upgrade Processes Year: 2019
Authors (1):
D. Matras
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Real space analysis of operando X-ray spectroscopy and scattering studies of Cobalt Fischer-Tropsch Synthesis catalysts Year: 2021
Authors (1):
J. J. Herbert
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Segregation and reactivity in bi-cationic oxide catalysts Year: 2019
Authors (1):
P. Hellier
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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