Expansion of exchange kernels for reactive scattering

Expansion of exchange kernels for reactive scattering

Two methods of treating the exchange kernel appearing in Miller's formulation of reactive scattering are investigated, with the most promising being an improvement of the separate expansion used previously. On the basis of results for the collinear H + H/sub 2/ reaction, it appears that calcula...

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Veröffentlicht in:J. Phys. Chem.; (United States) 1979-05, Vol.83 (11), p.1505-1508
Hauptverfasser: Adams, John E., Miller, William H.
Format: Artikel
Sprache:eng
Schlagworte:
400201 - Chemical & Physicochemical Properties
640304 - Atomic, Molecular & Chemical Physics- Collision Phenomena
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
EXPANSION
FLUIDS
HYDROGEN
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
KERNELS
MOLECULE COLLISIONS
NONMETALS
SCATTERING
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Zusammenfassung:Two methods of treating the exchange kernel appearing in Miller's formulation of reactive scattering are investigated, with the most promising being an improvement of the separate expansion used previously. On the basis of results for the collinear H + H/sub 2/ reaction, it appears that calculations within this formalism can be tractable for more general bimolecular reactions. 1 table.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100474a028