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A study of the Li+HCl reaction has been carried out using classical trajectories. A comparison with detailed scattering data has given sufficient indications on the accuracy of the overall shape of a previous bond order potential energy surface derived from ab initio values. Calculations performed on a new bond order surface having a lower transition state has led to a more realistic estimate of the threshold energy and the ratio between high and low collision energy reactive cross sections. The comparison has been extended to rate constants. Calculated values agree with measured ones within the given error boundaries
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Laganà et al. (1990) studied this question.
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