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
Distribution of reaction products (theory). Investigation of an ab initio energy-surface for F + H2 ⇀ HF + H
✍ Scribed by J.C. Polanyl; J.L. Schreiber
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 428 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0009-2614
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