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 Methyl Torsion in Unsaturated Compounds Year: 2020
Authors (6):
A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, D. Lennon, S. F. Parker
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03351 article-journal
Themes: Core (2020), Design (2020)
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Title: Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy Year: 2020
Authors (7):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03503 article-journal
Themes: Design (2020)
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Title: Neutron Scattering - Applications in Biology, Chemistry, and Materials Science Year: 2017
Authors (2):
F. Fernandez-Alonso, D. L. Price
Publisher: Experimental Methods in the Physical Sciences
DOI: 10.1016/b978-0-12-805324-9.09989-1 book
Themes: Featured (2017)
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Title: Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma Year: 2021
Authors (18):
S. Xu, X. Han, Y. Ma, T. D. Duong, L. Lin, E. K. Gibson, A. M. Sheveleva, S. Chansai, A. S. Walton, D. -T. Ngo, M. D. Frogley, C. C. Tang, F. Tuna, E. J. L. .McInnes, C. R. A. .Catlow, C. Hardacre, S. Yang, M. Schröder
Publisher: Cell Reports Physical Science
DOI: 10.1016/j.xcrp.2021.100349 article-journal
Themes: Featured (2021), Core (2021)
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Title: Following the Formation of Silver Nanoparticles Using In Situ X-ray Absorption Spectroscopy Year: 2020
Authors (5):
I. J. Godfrey, A. J. Dent, I. P. Parkin, S. Maenosono, G. Sankar
Publisher: ACS Omega
DOI: 10.1021/acsomega.0c00697 journal-article
Themes: Core (2020), New Catalysts (2020)
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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: Electrochemical separation processes for future societal challenges Year: 2022
Authors (1):
G. A. Mutch
Publisher: Cell Reports Physical Science
DOI: 10.1016/j.xcrp.2022.100844 journal-article
Themes: Circular Economy (2022)
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Title: Kinetic Modeling of Hydrocracking of Low-Density Polyethylene in a Batch Reactor Year: 2021
Authors (4):
A. Bin Jumah, M. Malekshahian, A. A. Tedstone, A. A. Garforth
Publisher: ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.1c06231 journal-article
Themes: Circular Economy (2021)
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Title: XAS/DRIFTS/MS spectroscopy for time-resolved operando study of integrated carbon capture and utilisation process Year: 2022
Authors (10):
H. Sun, C. Wang, S. Sun, A. T. Lopez, Y. Wang, J. Zeng, Z. Liu, Z. Yan, C. M. A. .Parlett, C. Wu
Publisher: Separation and Purification Technology
DOI: 10.1016/j.seppur.2022.121622 journal-article
Themes: BAG (2022)
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