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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: 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: 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: Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes Year: 2018
Authors (4):
R. J. Newland, M. P. Delve, R. L. Wingad, S. M. Mansell
Publisher: New Journal of Chemistry
DOI: 10.1039/c8nj03632b article-journal
Themes: Environment (2018)
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Title: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry Year: 2016
Authors (9):
A. M. Gill, C. S. Hinde, R. K. Leary, M. E. Potter, A. Jouve, P. P. Wells, P. A. Midgley, J. M. Thomas, R. Raja
Publisher: ChemSusChem
DOI: 10.1002/cssc.201501264 journal-article
Themes: BAG (2016), Design (2016)
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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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Title: Science to enable the circular economy Year: 2020
Authors (4):
C. R. A. .Catlow, M. G. Davidson, G. J. Hutchings, A. J. Mulholland
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0060 article-journal
Themes: Circular Economy (2020)
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Title: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Year: 2020
Authors (3):
F. Morteo-Flores, J. Engel, A. Roldan
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0056 article-journal
Themes: Design (2020)
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Title: Methanol photo-reforming with water on pure titania for hydrogen production Year: 2020
Authors (2):
M. Bowker, W. Jones
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0058 article-journal
Themes: Environment (2020)
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Title: Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study Year: 2020
Authors (6):
A. J. O'Malley, V. García-Sakai, N. Dimitratos, W. Jones, C. R. A. .Catlow, S. F. Parker
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0063 article-journal
Themes: Circular Economy (2020)
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