Figure 5.

Rate constants as a function of temperature for reactions R-H5, R-H10, R-H11, and R-H14 computed with the multi-structural torsional variational transition state theory at the M06-2X/aug-cc-pVQZ//M06-2X/cc-pVTZ level. The overall rate constants, calculated as the sum of the site-specific rate constants, and the experimental value by Borduas et al.2 are also shown.