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    • Energetics and Kinetics of OH Initiated Multigenerational Autoxidation Reactions of Limonene and the Pinenes

    Metadata Updated: February 4, 2022

    The data describe the energetics and kinetics of first and second generation OH initiated autoxidation reactions (H shifts and endo cyclizations) for limonene, alpha-pinene and beta-pinene. Ring opening reactions are quantified for the pinenes because only the ring opened products are capable of autoxidizing. Rate constants are computed for all plausible 1st and 2nd generation autoxidation reactions.

    This dataset is associated with the following publication: Piletic, I., and T. Kleindienst. Rates and Yields of Unimolecular Reactions Producing Highly Oxidized Peroxy Radicals in the OH-Induced Autoxidation of α-Pinene, β-Pinene, and Limonene. JOURNAL OF PHYSICAL CHEMISTRY A. American Chemical Society, Washington, DC, USA, 126(1): 88-100, (2021).

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    References

    https://doi.org/10.1021/acs.jpca.1c07961

    Dates

    Metadata Created Date February 4, 2022
    Metadata Updated Date February 4, 2022

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date February 4, 2022
    Metadata Updated Date February 4, 2022
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier https://doi.org/10.23719/1523046
    Data Last Modified 2021-12-31
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Data Dictionary https://pasteur.epa.gov/uploads/10.23719/1523046/documents/COMPCHEMDataDictionary.docx
    Data Dictionary Type application/vnd.openxmlformats-officedocument.wordprocessingml.document
    Harvest Object Id 16201ff6-6eec-44b9-8625-5e516b4e1bb3
    Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
    Harvest Source Title EPA ScienceHub
    License https://pasteur.epa.gov/license/sciencehub-license.html
    Program Code 020:000
    Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
    Related Documents https://doi.org/10.1021/acs.jpca.1c07961
    Source Datajson Identifier True
    Source Hash 57fe9473b910044d2199ec88dd94ff051aed5451
    Source Schema Version 1.1

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