Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidationdoi:10.26165/JUELICH-DATA/YWB5P1Jülich DATA2022-11-241Vereecken, Luc, 2022, "Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation", https://doi.org/10.26165/JUELICH-DATA/YWB5P1, Jülich DATA, V1Replication Data for: Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidationdoi:10.26165/JUELICH-DATA/YWB5P1Vereecken, LucJülich DATAVereecken, LucVereecken, Luc2022-11-24ChemistryQuantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZCC0 Waiver10.5194/acp-23-3147-2023Comparison of isoprene chemical mechanisms at atmospheric night-time conditions in chamber experiments: Evidence of hydroperoxy aldehydes and epoxy products from NO₃ oxidation, Philip T. M. Carlsson, Luc Vereecken, Anna Novelli, François Bernard, Steven S. Brown, Bellamy Brownwood, Changmin Cho, John N. Crowley, Patrick Dewald, Peter M. Edwards, Nils Friedrich, Juliane L. Fry, Mattias Hallquist, Luisa Hantschke, Thorsten Hohaus, Sungah Kang, Jonathan Liebmann, Alfred W. Mayhew, Thomas Mentel, David Reimer, Franz Rohrer, Justin Shenolikar, Ralf Tillmann, Epameinondas Tsiligiannis, Rongrong Wu, Andreas Wahner, Astrid Kiendler-Scharr, Hendrik Fuchs, Atmos. Chem. Phys., 23, 3147-3180, 2023alkoxy_4memberedring.txtQuantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.text/plain