Derivation of the DIPR model for reactive scattering

The classical model for reactive scattering proposed by Kuntz, Mok, and Polanyi is derived from the viewpoint of a pseudo-hard-sphere model which satisfies conservation of momentum constraints. Derivation of the DIPR equations is considerably simplified by (a) viewing the model in an impulsive frame...

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Veröffentlicht in:The Journal of chemical physics 1973-01, Vol.58 (1), p.153-157
1. Verfasser: Marron, Michael T.
Format: Artikel
Sprache:eng
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Zusammenfassung:The classical model for reactive scattering proposed by Kuntz, Mok, and Polanyi is derived from the viewpoint of a pseudo-hard-sphere model which satisfies conservation of momentum constraints. Derivation of the DIPR equations is considerably simplified by (a) viewing the model in an impulsive framework and (b) casting it in a coordinate system different from the original derivation. The model admits analytical expressions for the angular distribution of products and the final translational energy distribution. A method for introducing potential information is described in terms of net momentun transfer and weighting collision configurations.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1678899