BEBO calculations. Part 5.—Arrhenius parameters and kinetic isotope effects for the reactions of C2H5 and C2F5 radicals with H2 and D2
Abstract
The BEBO and BEBOA methods have been used to calculate Arrhenius parameters and kinetic isotope effects for the reactions of C2H5 and C2F5 radicals with H2 and D2, and the results of these calculations are compared with the available experimental data.