Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions'
dc.contributor.author | Lee, Sanha | |
dc.contributor.author | Goodman, Jonathan M | |
dc.date.accessioned | 2022-06-07T15:53:06Z | |
dc.date.available | 2022-06-07T15:53:06Z | |
dc.identifier.uri | https://www.repository.cam.ac.uk/handle/1810/337880 | |
dc.description | This dataset contains: - Cartesian coordinates of all the optimised structures in the publication. Please see README document for more detailed information | |
dc.description.sponsorship | We are grateful to Trinity College, University of Cambridge for the financial support for this research. | |
dc.format | ValleyRidge.py is available from Github link: https://github.com/sanha0213/ValleyRidge | |
dc.rights | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-sa/4.0/ | |
dc.subject | Bifurcating Reactions | |
dc.subject | Automatic Selectivity Prediction | |
dc.subject | ValleyRidge.py | |
dc.title | Research data supporting 'Rapid Route-Finding for Bifurcating Organic Reactions' | |
dc.type | Dataset | |
dc.publisher.department | Department of Chemistry Student | |
dc.date.updated | 2022-04-14T23:41:28Z | |
dc.identifier.doi | 10.17863/CAM.83551 | |
rioxxterms.licenseref.uri | https://creativecommons.org/licenses/by-nc-sa/4.0/ | |
datacite.contributor.supervisor | Goodman, Jonathan M | |
dcterms.format | ||
dc.contributor.orcid | Lee, Sanha [0000-0002-3940-0939] | |
dc.contributor.orcid | Goodman, Jonathan [0000-0002-8693-9136] | |
rioxxterms.type | Other | |
datacite.issupplementto.doi | https://dx.doi.org/10.1021/jacs.9b13449 | |
datacite.issupplementto.url | https://www.repository.cam.ac.uk/handle/1810/304812 | |
cam.depositDate | 2022-04-15 | |
pubs.licence-identifier | apollo-deposit-licence-2-1 | |
pubs.licence-display-name | Apollo Repository Deposit Licence Agreement |