On the Model Dependence of Kinetic Shifts in Unimolecular Reactions: The Dissociation of the Cations of Benzene and n-Butylbenzene t

*-4--Z "0.0 reproduces the measured k(E), were larger than the present SACM/CT results as well as earlier results from S > variational transition state theory (for CrH 6 +). The approach using RRKM theory was found to underestimate "c E0(J=0) by about 0.2-0.3 eV. A simplified SACM/CT-based method is also proposed which circumvents the trajectory calculations and allows derivation of E 0(J=0) on the basis of measured k(E) and which provides similar accuracy as the full SACM/CT treatment. ES