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

Metadata

Item Type: Article
Authors/Creators:
Copyright, Publisher and Additional Information:

© The Royal Society of Chemistry 2023
Dates:
  • Published: 21 April 2023
  • Published (online): 22 March 2023
  • Accepted: 20 March 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: 21 Jan 2025 18:09
Published Version: https://doi.org/10.1039/d3cy00083d
Status: Published
Refereed: Yes
Identification Number: 10.1039/d3cy00083d
Open Archives Initiative ID (OAI ID):

Download

Published Version

Filename: d3cy00083d.pdf

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

Licence: CC-BY 2.5

CLICK TO DOWNLOAD [thumbnail of High-throughput computational workflow for ligand discovery in catalysis with the CSD]

Export

Statistics


CORE (COnnecting REpositories)