High-throughput computational workflow for ligand discovery in catalysis with the CSD

Short, Marc A. S., Tovee, Clare A., Willans, Charlotte E. orcid.org/0000-0003-0412-8821 et al. (1 more author) (2023) High-throughput computational workflow for ligand discovery in catalysis with the CSD. Catalysis Science and Technology. 2407–2420. ISSN 2044-4761

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Item Type: Article
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© The Royal Society of Chemistry 2023
Dates:
  • Accepted: 20 March 2023
  • Published (online): 22 March 2023
  • Published: 21 April 2023
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Chemistry (York)
Depositing User: Pure (York)
Date Deposited: 06 Sep 2023 12:00
Last Modified: 15 Apr 2024 23:21
Published Version: https://doi.org/10.1039/d3cy00083d
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.1039/d3cy00083d

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Description: High-throughput computational workflow for ligand discovery in catalysis with the CSD

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