Replication Data for: H-shift and Cyclization Reactions in Unsaturated Alkylperoxy Radicals near Room Temperature: propagating or terminating autoxidation ?https://doi.org/10.26165/JUELICH-DATA/ZGIZV3Vereecken, LucJülich DATA2024-09-172024-11-14T14:00:36ZQuantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ and M06-2X/aug-cc-pVTZ levels of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZChemistryEarth and Environmental SciencesH-shift and Cyclization Reactions in Unsaturated Alkylperoxy Radicals near Room Temperature: propagating or terminating autoxidation ? Phys. Chem. Chem. Phys., doi 10.1039/D4CP02718C., doi, 10.1039/D4CP02718CVereecken, Luc2024-05-28CCBY