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
The dissociation energies of He2, HeH, and ArH: A bond function study
โ Scribed by Partridge, Harry; Bauschlicher, Charles W.
- Book ID
- 111873487
- Publisher
- Taylor and Francis Group
- Year
- 1999
- Tongue
- English
- Weight
- 547 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0026-8976
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