Theoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g)
✍ Scribed by R. Polák; I. Paidarová; P.J. Kuntz
- Book ID
- 107942789
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 745 KB
- Volume
- 172
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
The mechanism of electronic quenching of the A 2A state of CH by ground-state H, is qualitatively investigated by calculating the appropriate potential energy surfaces. It is shown that the appearance of an early potential barrier of 0.15 eV and of a late barrier of 0.6 eV on the potential energy su