Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
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Title: Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors Year: 2017
Authors (8):
M. R. Farrow, J. Buckeridge, T. Lazauskas, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, S. M. Woodley, A. A. Sokol
Publisher: Physica Status Solidi (A)
DOI: 10.1002/pssa.201600440 article-journal
Themes: Design (2017)
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Title: Towards microfluidic reactors for in situ synchrotron infrared studies Year: 2016
Authors (11):
I. P. Silverwood, N. Al-Rifai, E. Cao, D. J. .Nelson, A. Chutia, P. P. Wells, S. P. Nolan, M. D. Frogley, G. Cinque, A. Gavriilidis, C. R. A. .Catlow
Publisher: Review of Scientific Instruments
DOI: 10.1063/1.4941825 article-journal
Themes: Design (2016)
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Title: Comparison of Au and TiO2 based catalysts for the synthesis of chalcogenide nanowires Year: 2014
Authors (6):
P. Schönherr, D. Prabhakaran, W. Jones, N. Dimitratos, M. Bowker, T. Hesjedal
Publisher: Applied Physics Letters
DOI: 10.1063/1.4885217 article-journal
Themes: Design (2014)
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Title: Base-free glucose oxidation using air with supported gold catalysts Year: 2014
Authors (11):
P. J. Miedziak, H. Alshammari, S. A. Kondrat, T. J. Clarke, T. E. Davies, M. Morad, D. J. Morgan, D. J. Willock, D. W. Knight, S. H. Taylor, G. J. Hutchings
Publisher: Green Chemistry
DOI: 10.1039/c4gc00087k article-journal
Themes: Energy (2014)
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Title: Sustainable polymers from renewable resources Year: 2016
Authors (3):
Y. Zhu, C. Romain, C. K. Williams
Publisher: Nature
DOI: 10.1038/nature21001 article-journal
Themes: Transformations (2016)
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Title: Stable amorphous georgeite as a precursor to a high-activity catalyst Year: 2016
Authors (18):
S. A. Kondrat, P. J. Smith, P. P. Wells, P. A. Chater, J. H. Carter, D. J. Morgan, E. M. Fiordaliso, J. B. Wagner, T. E. Davies, L. Lu, J. K. Bartley, S. H. Taylor, M. S. Spencer, C. J. Kiely, G. J. Kelly, C. W. Park, M. J. Rosseinsky, G. J. Hutchings
Publisher: Nature
DOI: 10.1038/nature16935 article-journal
Themes: Environment (2016), BAG (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: 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: Intensification and deactivation of Sn-beta investigated in the continuous regime Year: 2016
Authors (4):
D. Padovan, C. Parsons, M. Simplicio Grasina, C. Hammond
Publisher: Green Chemistry
DOI: 10.1039/c6gc01288d article-journal
Themes: Design (2016)
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