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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
Influence of bromine and iodine chemistry on annual, seasonal, diurnal, and background ozone recent views
U.S. Environmental Protection Agency —
COMBINE_CONC_B_2006_annual_O3_AVG.tar contains annual average model predicted ozone without bromine/iodine chemistry COMBINE_CONC_C_2006_annual_O3_AVG.tar contains... -
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:... -
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...