{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.26165/JUELICH-DATA/GLU9BW","identifier":"https://doi.org/10.26165/JUELICH-DATA/GLU9BW","name":"Replication Data for: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds","creator":[{"name":"Vereecken, Luc","affiliation":"Forschungszentrum Jülich GmbH","@id":"https://orcid.org/0000-0001-7845-684X","identifier":"https://orcid.org/0000-0001-7845-684X"}],"author":[{"name":"Vereecken, Luc","affiliation":"Forschungszentrum Jülich GmbH","@id":"https://orcid.org/0000-0001-7845-684X","identifier":"https://orcid.org/0000-0001-7845-684X"}],"datePublished":"2022-09-21","dateModified":"2022-09-21","version":"1","description":["Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ"],"keywords":["Earth and Environmental Sciences","Chemistry"],"citation":[{"@type":"CreativeWork","text":"Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds H. Shen, L. Vereecken, S. Kang, I. Pullinen, H. Fuchs, D. Zhao, T. F. Mentel Science Advances, accepted for publication, 2022"}],"license":{"@type":"Dataset","text":"CC0","url":"https://creativecommons.org/publicdomain/zero/1.0/"},"includedInDataCatalog":{"@type":"DataCatalog","name":"Jülich DATA","url":"https://data.fz-juelich.de"},"publisher":{"@type":"Organization","name":"Jülich DATA"},"provider":{"@type":"Organization","name":"Jülich DATA"},"distribution":[{"@type":"DataDownload","name":"Quantumchemical_data.txt","fileFormat":"text/plain","contentSize":1739329,"description":"Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/5141"}]}