none 10.1021/acsomega.8b03005 American Chemical Society (ACS) American Chemical Society 316 104767077 300900 2023041306295500166 10.1021 2023-04-17T01:10:09Z 2019-02-14T09:47:25Z 22 ACS Omega ACS Omega 2470-1343 2470-1343 02 28 2019 4 2 Agustin Barba Mestrelab Research, S.L., Feliciano Barrera 9B − Bajo, 15706 Santiago de Compostela, Spain Santiago Dominguez Mestrelab Research, S.L., Feliciano Barrera 9B − Bajo, 15706 Santiago de Compostela, Spain Carlos Cobas Mestrelab Research, S.L., Feliciano Barrera 9B − Bajo, 15706 Santiago de Compostela, Spain David P. Martinsen David Martinsen Consulting, Rockville, Maryland 20850, United States Charles Romain Department of Chemistry, MSRH, Imperial College London, 80 Wood Lane, London W12 0BZ, U.K. http://orcid.org/0000-0002-1851-8612 Henry S. Rzepa Department of Chemistry, MSRH, Imperial College London, 80 Wood Lane, London W12 0BZ, U.K. http://orcid.org/0000-0002-8635-8390 Felipe Seoane Mestrelab Research, S.L., Feliciano Barrera 9B − Bajo, 15706 Santiago de Compostela, Spain 02 14 2019 02 28 2019 3280 3286 10.1021/acsomega.8b03005 Imperial College London http://dx.doi.org/10.13039/501100000761 http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html 10.1021/acsomega.8b03005 https://pubs.acs.org/doi/10.1021/acsomega.8b03005 https://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03005 http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03005 10.1039/C7NP00064B 10.1107/S1600536809051757 10.1038/462970a Larsen, S.; Kostorz, G. Publication standards for crystal structures . 2011. https://www.iucr.org/home/leading-article/2011/2011-06-02 (accessed Jul 7, 2018). 10.1038/s41586-018-0337-2 10.1021/jp310725k 10.1351/pac199971081549 10.1002/mrc.4737 Figshare . https://figshare.com (accessed Oct 25, 2018). DRYAD . https://datadryad.org (accessed Oct 25, 2018). The Dataverse Project . https://dataverse.org (accessed Oct 25, 2018). EPJ Data Science . https://epjdatascience.springeropen.com (accessed Oct 25, 2018). Scientific Data . https://www.nature.com/sdata/ (accessed Oct 25, 2018). MethodsX . https://www.journals.elsevier.com/methodsx (accessed Oct 25, 2018). SoftwareX . https://www.journals.elsevier.com/softwarex (accessed Oct 25, 2018). 10.3897/rio.3.e21773 10.1021/jacs.6b13229 10.1021/acs.joc.6b02008 Clarke, J.; Bonney, K. J.; Yaqoob, M.; Solanki, S.; Rzepa, H. S.; White, A. J. P.; Millan, D. S.; Braddock, D. C. Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D. J. Org. Chem. 2016, 81, 9539−9552 and the accompanying interactive FAIR data table at DOI: 10.14469/hpc/1248. 10.1038/sdata.2016.18 Mnova, Version 12.0.3 Ecma International . https://www.ecma-international.org/ (accessed Oct 25, 2018). 10.14469/hpc/4751 FAIRsharing . https://fairsharing.org (accessed Oct 25, 2018). 10.14469/hpc/1053 10.1186/s13321-017-0190-6 10.1186/s13321-015-0068-4 10.1021/ci050400b 10.17616/R3K64N Dublin Core Metadata Initiative . http://dublincore.org/schemas/ (accessed Jul 23, 2018). Creative Commons . https://creativecommons.org/publicdomain/zero/1.0/ (accessed Jul 23, 2018). Open Archives Initiative Object Reuse and Exchange . http://www.openarchives.org/ore/1.0/datamodel (accessed Jul 23, 2018). 10.5438/0014 Metadata Recommendations for DataCite Registration . https://sites.google.com/view/digchem/datacite-recommendations (accessed Jul 23, 2018). DataCite . https://datacite.org (accessed Jul 23, 2018). 10.14469/hpc/1116 10.1101/418376 10.25504/fairsharing.letkjt Supplemental Information for 10.1021/acsomega.8b03005 10.1021/acsomega.8b03005.s001 https://pubs.acs.org/doi/suppl/10.1021/acsomega.8b03005/suppl_file/ao8b03005_si_001.pdf