Ab initio study of N2O+. Angular dependence of the 14A″(4Π) potential
✍ Scribed by D.G. Hopper
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 557 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X 2~ + and first excited A21-I states of the SiN radical have been c
## Abstract For Abstract see ChemInform Abstract in Full Text.
The NeH potentiaI energy surface has been examined by ab initio molncuiar orbital theory usin8 the 6-3 lG\*\* basis set with correlation enem ev&ated by MQIIer-Plesset perturbation theory to fourth order. The AE for N2H + N2 + H is -14.4 kcal mol-' and the barrier to dissociation is 10.5 kcal mol-r