ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Quasi-classical trajectory calculations have been performed on the H + O2 system. Significant reaction probabilities are obtained when the initial energy is in rotation or vibration, or a combination of the two, but not when the initial energy is in translation. The opacity function shows a bimodal dependence on the impact parameter, with a small peak at 0.9 Å 〈 b 〈 1.5 Å and a very prominent peak at 2.5 Å 〈 b 〈 3.3 Å. The product scattering angles and product energy distributions also depend on b and to a limited extent on the initial energy distribution.The observations can be largely interpreted in terms of the nature of the motion on the potential energy surface, while the effects of rotational energy on the reaction follow qualitatively from statistical phase-space theory.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/kin.550130917
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