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: The influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (2019)
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Title: Low-temperature studies of propene oligomerization in ZSM-5 by inelastic neutron scattering spectroscopy Year: 2019
Authors (7):
P. Collier, R. A. Ewings, A. P. Hawkins, R. F. Howe, D. Lennon, S. F. Parker, A. Zachariou
Publisher: RSC Advances
DOI: 10.1039/c9ra03568k article-journal
Themes: Design (2019)
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Title: Evidence for tetranuclear bis-μ-oxo cubane species in molecular iridium-based water oxidation catalysts from XAS analysis Year: 2019
Authors (8):
S. A. Bartlett, V. Celorrio, E. K. Gibson, U. Hintermair, M. Nachtegaal, E. V. Sackville, S. W. Sheehan, P. P. Wells
Publisher: Chemical Communications
DOI: 10.1039/c9cc02088h article-journal
Themes: Design (2019), BAG (2019)
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Title: Highlights from Faraday Discussion: Designing New Heterogeneous Catalysts, London, UK, April 2016 Year: 2016
Authors (3):
N. Fischer, H. G. Manyar, A. Roldan
Publisher: Chemical Communications
DOI: 10.1039/c6cc90273a article-journal
Themes: Design (2016)
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Title: Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls Year: 2018
Authors (3):
R. J. Newland, J. M. Lynam, S. M. Mansell
Publisher: Chemical Communications
DOI: 10.1039/c8cc01880d article-journal
Themes: Environment (2018)
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Title: Spectroscopic chemical insights leading to the design of versatile sustainable composites for enhanced marine application Year: 2015
Authors (8):
A. S. Dzielendziak, J. I. R. .Blake, R. Bounds, K. A. Wilkinson, M. Carravetta, A. R. Chambers, C. -K. Skylaris, R. Raja
Publisher: RSC Advances
DOI: 10.1039/c5ra19197a article-journal
Themes: Design (2015)
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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: 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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Title: Effect of steam de-alumination on the interactions of propene with H-ZSM-5 zeolites Year: 2020
Authors (8):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, N. S. Barrow, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: RSC Advances
DOI: 10.1039/d0ra03871g article-journal
Themes: New Catalysts (2020)
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