Rate Constant Calculations of H-Atom Abstraction Reactions from Ethers by HȮ₂ Radicals

In this work, we detail hydrogen atom abstraction reactions from six ethers by the hydroperoxyl radical, including dimethyl ether, ethyl methyl ether, propyl methyl ether, isopropyl methyl ether, butyl methyl ether, and isobutyl methyl ether, in order to test the effect of the functional group on the rate constant calculations. The Møller–Plesset (MP2) method with the 6-311G(d,p) basis set has been employed in the geometry optimizations and...