Formation of argon dimers in ternary monomer collisions—A classical trajectory study

Classical trajectories are used to study formation of both stable and metastable dimers in dilute argon over a 15–500 K temperature range. The results are compared with previously published trajectory data [R. E. Howard, T. L. Planck, S. R. Trussell, B. Saadevandi, Chem. Phys. Lett. 142, 33 (1987)]...

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Veröffentlicht in:The Journal of chemical physics 1998-11, Vol.109 (19), p.8289-8294
1. Verfasser: Kalus, René
Format: Artikel
Sprache:eng
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Zusammenfassung:Classical trajectories are used to study formation of both stable and metastable dimers in dilute argon over a 15–500 K temperature range. The results are compared with previously published trajectory data [R. E. Howard, T. L. Planck, S. R. Trussell, B. Saadevandi, Chem. Phys. Lett. 142, 33 (1987)] and with molecular dynamics data [W. C. Schieve, and H. W. Harrison, J. Chem. Phys. 61, 700 (1974)]. There are serious differences between the results reported by Howard et al. and our trajectory data, whereas good agreement is achieved with the molecular-dynamics results reported by Schieve and Harrison. The computed recombination rate coefficients for argon are used to assess atom–atom recombination rates in other noble gases.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.477491