5 datasets found
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Federal
Estimation of Radiative Efficiency of Chemicals with Potentially Significant Global Warming Potential recent views
U.S. Environmental Protection Agency —
The set of commercially available chemical substances in commerce that may have significant global warming potential (GWP) is not well defined. Although there are... -
Federal
Computational Chemistry Data for "Synthesis and Hydrolysis of Atmospherically Relevant Monoterpene-Derived Organic Nitrates": 02-12-2021 and 03-01-2021 recent views
U.S. Environmental Protection Agency —
The data describe density functional theory (DFT) calculations of the pH dependent reaction barriers for the hydrolysis of four different monoterpene nitrates. These... -
Federal
Energetics and Kinetics of OH Initiated Multigenerational Autoxidation Reactions of Limonene and the Pinenes recent views
U.S. Environmental Protection Agency —
The data describe the energetics and kinetics of first and second generation OH initiated autoxidation reactions (H shifts and endo cyclizations) for limonene, alpha-... -
Federal
Theoretical Study of Isoprene Peroxy Radical 1-5 Hydrogen Shift Reactions that Regenerate HOx Radicals and Produce Highly Oxidized Molecules recent views
U.S. Environmental Protection Agency —
The attached extensive computational chemistry dataset involves detailed electronic structure (density functional theory - DFT) and kinetic calculation (master... -
Federal
Barrierless Reactions with Loose Transition States Govern the Yields and Lifetimes of Organic Nitrates Derived from Isoprene recent views
U.S. Environmental Protection Agency —
The attached extensive computational chemistry dataset was succinctly presented by Piletic et al. (Journal of Physical Chemistry A, 2017, DOI:...
5 datasets found