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: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
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Title: Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3 Year: 2019
Authors (14):
E. K. Dann, E. K. Gibson, C. R. A. .Catlow, V. Celorrio, P. Collier, T. Eralp Erden, M. Amboage, C. Hardacre, C. E. Stere, A. B. Kroner, A. Raj, S. M. Rogers, A. Goguet, P. P. Wells
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2019.03.037 article-journal
Themes: Design (2019)
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Title: Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation Year: 2018
Authors (6):
Y. Liu, A. J. McCue, J. Feng, S. Guan, D. Li, J. A. Anderson
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2018.05.018 article-journal
Themes: BAG (2018)
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Title: Effects of zeolite particle size and internal grain boundaries on Pt/Beta catalyzed isomerization of n-pentane Year: 2018
Authors (7):
G. Ye, Y. Sun, Z. Guo, K. Zhu, H. Liu, X. Zhou, M. -O. Coppens
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2018.01.033 article-journal
Themes: Design (2018)
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