## Abstract The effects of reaction barrier height and initial rotational excitation of the reactants on the overall rate of H atom exchange between atomic chlorine and HCl (__v__ = 0) and on the 0 → 1 vibrational excitation of HCl via reactive and nonreactive collisions have been investigated usin
On the use of moment inversion methods for the “quantization” of classical trajectory study vibrational energy distributions. Effects of statistical uncertainties in the moments
✍ Scribed by M.D. Pattengill
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 383 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A procedure based on non-negative linear least squares is used to investigate statistical uncertainties in "quantized" vibrational distributions resulting from the inversion of statistically uncertain classical trajectory generated moments of vibrational energy distributions. Test cases considered indicate that due to statistical uncertainties in the trajectory generated moments, the inverted vibrational distributions contain appreciable uncertainties which in general, are at least comparable to those resulting from use of the histogrammic method.
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