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 reactivity: Classical decoupling approximations
β 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
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
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