Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions'
View / Open Files
Goodman, Jonathan M
MetadataShow full item record
Lee, S., & Goodman, J. M. (2022). Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions' [Dataset]. https://doi.org/10.17863/CAM.83551
This dataset contains: - Cartesian coordinates of all the optimised structures in the publication. Please see README document for more detailed information
ValleyRidge.py is available from Github link: https://github.com/sanha0213/ValleyRidge
Bifurcating Reactions, Automatic Selectivity Prediction, ValleyRidge.py
Publication Reference: https://dx.doi.org/10.1021/jacs.9b13449https://www.repository.cam.ac.uk/handle/1810/304812
We are grateful to Trinity College, University of Cambridge for the financial support for this research.
This record's DOI: https://doi.org/10.17863/CAM.83551
Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Licence URL: https://creativecommons.org/licenses/by-nc-sa/4.0/
Recommended or similar items
The current recommendation prototype on the Apollo Repository will be turned off on 03 February 2023. Although the pilot has been fruitful for both parties, the service provider IKVA is focusing on horizon scanning products and so the recommender service can no longer be supported. We recognise the importance of recommender services in supporting research discovery and are evaluating offerings from other service providers. If you would like to offer feedback on this decision please contact us on: email@example.com