Supplementary data for "Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling", revised version submitted to J. Phys. Chem. A

dc.contributor.affiliationUniversity of Helsinki - Siddharth Iyer
dc.contributor.affiliationUniversity of Helsinki, Finland - Heidi Reiman
dc.contributor.affiliationUniversity of Copenhagen, Denmark - Kristian H. Møller
dc.contributor.affiliationUniversity of Helsinki, Finland - Matti P. Rissanen
dc.contributor.affiliationUniversity of Copenhagen, Denmark - Henrik G. Kjaergaard
dc.contributor.affiliationUniversity of Helsinki, Finland - Theo Kurtén
dc.contributor.authorSiddharth Iyer
dc.contributor.authorHeidi Reiman
dc.contributor.authorKristian H. Møller
dc.contributor.authorMatti P. Rissanen
dc.contributor.authorHenrik G. Kjaergaard
dc.contributor.authorTheo Kurtén
dc.date.accessioned2025-03-24T15:26:43Z
dc.date.issued2018-09-21
dc.date.issued2018-09-21
dc.descriptionlog files (Gaussian 09) and out files (Orca 4.0) (Note: Files_final.zip contains all the same log and out files as Files.zip, but also few additional structures added during the revision process, namely two additional RO2 from ocimene ozonolysis, and one additional transition state for a RO2 + HO2 reaction. Please ignore the file Files.zip.)
dc.identifierhttps://doi.org/10.5281/zenodo.1476995
dc.identifier.urihttps://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/11523
dc.rightsOpen
dc.rights.licensecc-by-4.0
dc.titleSupplementary data for "Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling", revised version submitted to J. Phys. Chem. A
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