Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions'
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Goodman, Jonathan M
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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/