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Dynamics of the A + BC reaction in solution

✍ Scribed by John P. Bergsma; Pamela M. Edelsten; Bradley J. Gertner; Kevin R. Huber; Jeffrey R. Reimers; Kent R. Wilson; Samuel M. Wu; James T. Hynes

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 499 KB
Volume: 123
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80029-x

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✦ Synopsis

Molecular dynamics are computed for A + BC + AB + C m a rare gas solvent. Transition state theory is valid. For + 0.02 ps about the barrier, reaction dynamics are essentially the same as without solvent. Reactive trajectories are translatlonally special over = * 0.02 ps, rotationally over = +0.5 ps, and vlbrationally over > 100 PS.

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