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: 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: Confinement Effects on the Benzene Orientational Structure Year: 2018
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, T. G. A. .Youngs, C. Hardacre
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201713115 article-journal
Themes: Energy (2018)
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Title: Electrochemical characterization and regeneration of sulfur poisoned Pt catalysts in aqueous media Year: 2018
Authors (8):
C. -H. Chen, A. Halford, M. Walker, C. Brennan, S. C. S. .Lai, D. J. Fermín, P. R. Unwin, P. Rodríguez
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2018.03.015 article-journal
Themes: Energy (2018)
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Title: Selective Polymerization Catalysis from Monomer Mixtures: Using a Commercial Cr-Salen Catalyst To Access ABA Block Polyesters Year: 2018
Authors (2):
T. Stößer, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201801400 article-journal
Themes: Transformations (2018)
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Title: Encapsulation of Crabtree's Catalyst in Sulfonated MIL-101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment Year: 2018
Authors (9):
A. Grigoropoulos, A. I. McKay, A. P. Katsoulidis, R. P. Davies, A. Haynes, L. Brammer, J. Xiao, A. S. Weller, M. J. Rosseinsky
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201710091 article-journal
Themes: Transformations (2018)
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Title: Photoelectrochemical properties of BiOCl microplatelets Year: 2018
Authors (6):
J. Stephenson, V. Celorrio, D. Tiwari, S. R. Hall, D. C. Green, D. J. Fermín
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2017.10.024 article-journal
Themes: Energy (2017)
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Title: Electrochemical reduction of carbon dioxide on copper-based nanocatalysts using the rotating ring-disc electrode Year: 2018
Authors (6):
M. Bersani, D. J. L. .Brett, J. A. Darr, K. Gupta, P. R. Shearing, X. Zhu
Publisher: Electrochimica Acta
DOI: 10.1016/j.electacta.2018.07.025 article-journal
Themes: Collaborations (2018)
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Title: The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides Year: 2018
Authors (4):
C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp04216k article-journal
Themes: Design (2018)
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Title: In situ determination of the nanostructure effects on the activity, stability and selectivity of Pt-Sn ethanol oxidation catalysts Year: 2018
Authors (6):
L. Calvillo, L. Mendez De Leo, S. J. Thompson, S. W. T. .Price, E. J. Calvo, A. E. Russell
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2017.09.060 article-journal
Themes: BAG (2018)
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