The previous quantum mechanical close-coupling study of the dissociative collisions in He + Hz (T-shape configuration) by the present authors [Chem. Phys. Letters 216 (1993) 6131 has been extended to a wide range of the total energy 4.8-7.5 eV. The dissociation process shows a clear vibrational enha
Isotope variations of exchange and dissociation reactions in collinear He + H2+ collisions
β Scribed by Kazuhiro Sakimoto
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 344 KB
- Volume
- 248
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
A quantum-mechanical study has been carried out for a collinear rearrangement reaction He+ Hz -+HeH + +H both on a diatomics-in-molecules semi-empirical surface and on a fitted ab initio surface. The calculation for the fitted ab initio surface has been carried out with a tine mesh in a broad range
A standard close coupling method is applied to collision-induced dissociation in a non-reactive He+H, system. The dissociative continuum is approximately described with a set of discrete states which are obtained by confining the internuclear motion of Hz in a box. The scattering is assumed to proce
Classical trajectory calculations for the rotational excitation'of CO and Hz by collision &ith He have been carried out and compared to the accurate qu&~m mechanics1 cfculations of other workers The grecment is rasonably encourngig, although some irther&t limitations of this strictly classical appro