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: Methanol oxidation over shell-core MO /Fe2O3 (M = Mo, V, Nb) catalysts Year: 2019
Authors (3):
M. Bowker, P. Hellier, P. P. Wells
Publisher: Chinese Journal of Catalysis
DOI: 10.1016/s1872-2067(19)63350-4 article-journal
Themes: Design (2019)
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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: 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: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries Year: 2021
Authors (15):
A. Vamvakeros, D. Matras, T. E. Ashton, A. A. Coelho, H. Dong, D. Bauer, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. ‐C. Dippel, M. von Zimmerman, J. A. Darr, S. D. M. .Jacques, A. M. Beale
Publisher: Small Methods
DOI: 10.1002/smtd.202100512 journal-article
Themes: 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: Evolution of dynamical networks enhances catalysis in a designer enzyme Year: 2021
Authors (6):
H. A. Bunzel, J. L. . R. Anderson, D. Hilvert, V. L. Arcus, M. W. van der Kamp, A. J. Mulholland
Publisher: Nature Chemistry
DOI: 10.1038/s41557-021-00763-6 journal-article
Themes: Biocatalysis (2021)
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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: Highly selective CO2 photoreduction to CO on MOF-derived TiO2 Year: 2023
Authors (13):
M. Garvin, W. A. Thompson, J. Z. Y. .Tan, S. Kampouri, C. P. Ireland, B. Smit, A. Brookfield, D. Collison, L. Negahdar, A. M. Beale, M. M. Maroto-Valer, R. D. McIntosh, S. Garcia
Publisher: RSC Sustainability
DOI: 10.1039/d2su00082b journal-article
Themes: New Catalysts (2023)
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