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: 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: A Simple and Ligand‐Free Synthesis of Light and Durable Metal‐TiO2 Polymer Films with Enhanced Photocatalytic Properties Year: 2021
Authors (11):
X. Li, Y. Xu, A. J. Greer, M. Yue, Z. Ye, A. McNeill, C. Li, A. Mills, P. Hu, C. Hardacre, S. E. J. .Bell
Publisher: Advanced Materials Interfaces
DOI: 10.1002/admi.202101241 journal-article
Themes: Water-Energy (2021)
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Title: Oxide-supported metal catalysts for anaerobic NAD+ regeneration with concurrent hydrogen production Year: 2024
Authors (5):
J. Li, J. W. H. .Burnett, C. M. Macias, R. F. Howe, X. Wang
Publisher: Chinese Chemical Letters
DOI: 10.1016/j.cclet.2023.108737 journal-article
Themes: Water-Energy (2024)
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