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

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

log 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 r...

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Hauptverfasser: Siddharth Iyer, Reiman, Heidi, Møller, Kristian H., Rissanen, Matti P., Kjaergaard, Henrik G., Kurtén, Theo
Format: Dataset
Sprache:eng
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Zusammenfassung:log 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.)
DOI:10.5281/zenodo.1423651