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: Design, synthesis and applications of new families of chiral sulfonic acids Year: 2015
Authors (5):
P. Jakubec, M. E. Muratore, I. Aillaud, A. L. Thompson, D. J. Dixon
Publisher: Tetrahedron: Asymmetry
DOI: 10.1016/j.tetasy.2015.02.002 journal-article
Themes: Transformations (2015)
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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: Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design Year: 2016
Authors (5):
A. L. Gould, K. Rossi, C. R. A. .Catlow, F. Baletto, A. J. Logsdail
Publisher: The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.6b02181 journal-article
Themes: Design (2016)
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Title: Methanol-to-Olefins Studied by UV Raman Spectroscopy as Compared to Visible Wavelength: Capitalization on Resonance Enhancement Year: 2024
Authors (6):
E. Campbell, I. V. Sazanovich, M. Towrie, M. J. Watson, I. Lezcano‐Gonzalez, A. M. Beale
Publisher: The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.4c00865 journal-article
Themes: New Catalysts (2024)
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