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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).

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

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

Metadata Source

Harvested from EPA ScienceHub

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)
Data Last Modified 2021-12-31
Public Access Level public
Bureau Code 020:00
Schema Version
Data Dictionary
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
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
Source Datajson Identifier True
Source Hash 57fe9473b910044d2199ec88dd94ff051aed5451
Source Schema Version 1.1

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