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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: Waste not, want not: CO2 (re)cycling into block polymers Year: 2019
Authors (5):
S. K. Raman, R. Raja, P. L. Arnold, M. G. Davidson, C. K. Williams
Publisher: Chemical Communications
DOI: 10.1039/c9cc02459j article-journal
Themes: Design (2019), Featured (2019)
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Title: Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study Year: 2018
Authors (4):
S. K. Matam, R. F. Howe, A. Thetford, C. R. A. .Catlow
Publisher: Chemical Communications
DOI: 10.1039/c8cc07444e article-journal
Themes: Design (2018)
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Title: The effects of MTG catalysis on methanol mobility in ZSM-5 Year: 2018
Authors (11):
S. K. Matam, A. J. O'Malley, C. R. A. .Catlow, Suwardiyanto, P. Collier, A. P. Hawkins, A. Zachariou, D. Lennon, I. P. Silverwood, S. F. Parker, R. F. Howe
Publisher: Catalysis Science & Technology
DOI: 10.1039/c8cy00422f article-journal
Themes: Design (2018)
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Title: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study Year: 2018
Authors (7):
A. J. O'Malley, M. Sarwar, J. Armstrong, C. R. A. .Catlow, I. P. Silverwood, A. P. E. .York, I. Hitchcock
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp01022f article-journal
Themes: Design (2018)
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Title: Insights into the durability of Co–Fe spinel oxygen evolution electrocatalystsvia operandostudies of the catalyst structure Year: 2018
Authors (11):
L. Calvillo, F. Carraro, O. Vozniuk, V. Celorrio, L. Nodari, A. E. Russell, D. Debellis, D. J. Fermín, F. Cavani, S. Agnoli, G. Granozzi
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c7ta10892c article-journal
Themes: Design (2018)
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Title: Effects of heat treatment atmosphere on the structure and activity of Pt3Sn nanoparticle electrocatalysts: a characterisation case study Year: 2018
Authors (8):
H. Huang, A. B. A. A. Nassr, V. Celorrio, S. F. . R. Taylor, V. K. Puthiyapura, C. Hardacre, D. J. L. .Brett, A. E. Russell
Publisher: Faraday Discussions
DOI: 10.1039/c7fd00221a article-journal
Themes: Design (2018), BAG (2018)
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Title: Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene Year: 2018
Authors (9):
S. Guan, P. R. Davies, E. K. Gibson, D. Lennon, G. E. Rossi, J. M. Winfield, J. Callison, P. P. Wells, D. J. Willock
Publisher: Faraday Discussions
DOI: 10.1039/c8fd00005k article-journal
Themes: Design (2018), BAG (2018)
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Title: The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects Year: 2018
Authors (3):
A. Chutia, D. J. Willock, C. R. A. .Catlow
Publisher: Faraday Discussions
DOI: 10.1039/c8fd00002f article-journal
Themes: Design (2018)
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Title: Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5 Year: 2019
Authors (4):
S. A. F. .Nastase, A. J. O'Malley, C. R. A. .Catlow, A. J. Logsdail
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp06736h article-journal
Themes: Design (2018)
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