Two-dimensional product probability distributions from trajectory calculations for the H+H2 reaction

Two-dimensional product probability distributions from trajectory calculations for the H+H2 reaction

A quasiclassical trajectory study of the H+H2 reaction at Erel=0.65 eV has been carried out. A total of 9450 reactive trajectories were run. Two-dimensional Fourier series were used to compute very accurate product probability density functions, and a number of two-dimensional contour maps are prese...

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Veröffentlicht in:The Journal of chemical physics 1991-05, Vol.94 (9), p.5980-5984
Hauptverfasser: RIEDERER, D. E, JORGENSEN, A. D, GISLASON, E. A
Format: Artikel
Sprache:eng
Schlagworte:
Atomic and molecular collision processes and interactions
Atomic and molecular physics
Exact sciences and technology
Physics
Scattering of atoms, molecules and ions
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Zusammenfassung:A quasiclassical trajectory study of the H+H2 reaction at Erel=0.65 eV has been carried out. A total of 9450 reactive trajectories were run. Two-dimensional Fourier series were used to compute very accurate product probability density functions, and a number of two-dimensional contour maps are presented. A simple model can explain the major features of the results.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.460733