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The effect of reagent rotation on reactivity: Classical decoupling approximations

✍ Scribed by Judith A. Harrison; Howard R. Mayne


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
504 KB
Volume
158
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Effect of reactant rotation on reactivit
✍ Howard R. Mayne πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 471 KB

The effect of reactant rotation on reactivity has been investigated using a model system. Classical and exact quantum results are in excellent agreement above threshold. Trends are found which mirror those seen in recent trajectory studies on H + Hz.

The effect of reagent rotation on steric
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The body-fixed coordinate system appears to be particularly suited for discussing the role of reagent rotation. The simple picture provided by the jr-conserving approximation accords with the available evidence and with specially performed trajectory computations for the 0 + HCl (u = 0, i) and 0 + D

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✍ Miguel GonzΓ‘lez; Miquel Gilibert; Antonio Aguilar; R. SayΓ³s πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 836 KB

The moderately exotherrnic ion-molecule reaction O+ t Hz and its isotopic variants have been the subject of several dynamical studies in our group. In this work we report an extensive quasiclassical trajectory study on the dynamics of this system at different initial relative energies considering a