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A method for transforming an intrinsic reaction path potential into an internal-coordinate path potential is presented. The form of the resulting potential is suitable for use in classical trajectory simulations. The method is applied to dissociation of HCOH.+ (and deuterated analogs) via a direct cleavage pathway. Kinetic energy release values are compared with experimental results and previous calculations.
Ling et al. (Thu,) studied this question.