{"@context":"http://schema.org","@type":"Dataset","@id":"https://doi.org/10.26165/JUELICH-DATA/J2LHTQ","identifier":"https://doi.org/10.26165/JUELICH-DATA/J2LHTQ","name":"Replication Data for: Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments","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":"2024-09-27","dateModified":"2024-09-27","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 levels of theor, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ"],"keywords":["Chemistry","Earth and Environmental Sciences"],"citation":[{"@type":"CreativeWork","text":"Effect of the alkoxy radical chemistry on the ozone formation from anthropogenic organic compounds investigated in chamber experiments M. Färber, H. Fuchs, B. Bohn, P. T. M. Carlsson, G. I. Gkatzelis, A. C. Marcillo Lara, . Rohrer, S. Wedel, A. Wahner, A. Novelli Environmental Science & Technology Air 1, 9, 1096–1111, 2024"}],"license":{"@type":"Dataset"},"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":"SI_hexane.txt","fileFormat":"text/plain","contentSize":3965822,"description":"Quantum chemical data: geometries, wavenumbers, rotational constants, energies.","contentUrl":"https://data.fz-juelich.de/api/access/datafile/14770"}]}