Preliminary results of ab initio unrcstiictcd Hnrtree-Fock calculations for the potential enerfiy surfact for the reaction N' + Hz + Nil+ + H ae reported. For the collinear approach of Nf to Hz, the 3 - x surface has no activation barrier and has a shallow well (n. 1 eV). For perpendicular approach
β¦ LIBER β¦
Quantal study of the exchange reaction for N+N[sub 2] using an ab initio potential energy surface
β Scribed by Wang, Dunyou; Stallcop, James R.; Huo, Winifred M.; Dateo, Christopher E.; Schwenke, David W.; Partridge, Harry
- Book ID
- 121722108
- Publisher
- American Institute of Physics
- Year
- 2003
- Tongue
- English
- Weight
- 236 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0021-9606
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