Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions'
Lee, Sanha https://orcid.org/0000-0002-3940-0939
Goodman, Jonathan M
This dataset contains:
- Cartesian coordinates of all the optimised structures in the publication. Please see README document for more detailed information
Software / Usage instructions
ValleyRidge.py is available from Github link: https://github.com/sanha0213/ValleyRidge
Bifurcating Reactions, Automatic Selectivity Prediction, ValleyRidge.py
We are grateful to Trinity College, University of Cambridge for the financial support for this research.