Title: Neutron Scattering of Aromatic and Aliphatic Liquids Year: 2016
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, C. Hardacre, T. G. A. .Youngs
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201600149 article-journal
Themes: Energy (2016)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: An investigation into the stability and use of non-stoichiometric YBaCo4O7+δ for oxygen enrichment processes Year: 2018
Authors (4):
S. R. .W. .Johnston, B. Ray, W. Hu, I. S. Metcalfe
Publisher: Solid State Ionics
DOI: 10.1016/j.ssi.2018.03.016 journal-article
Themes: Energy (2018)
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Title: Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Year: 2018
Authors (4):
S. Chapman, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201800721 journal-article
Themes: Design (2018)
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Title: QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction Year: 2018
Authors (5):
I. P. Silverwood, M. A. Arán, I. Lezcano-González, A. B. Kroner, A. M. Beale
Publisher: AIP Conference Proceedings
DOI: 10.1063/1.5039294 paper-conference
Themes: Design (2018)
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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: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality Year: 2022
Authors (6):
K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15041418 journal-article
Themes: Design (2022)
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Title: Computational investigation of the structures and energies of microporous materials Year: 2022
Authors (3):
E. Stacey, M. G. Quesne, C. R. A. .Catlow
Publisher: Elsevier Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2022.112382 journal-article
Themes: New Catalysts (2022)
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Title: Entangled ZnO on Ultrathin Hollow Fibers for UV-Aided Pollutant Decomposition Year: 2022
Authors (6):
X. Wang, S. Xu, E. Chalmers, X. Chen, Y. Liu, X. Liu
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.1c21554 journal-article
Themes: Core (2022)
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