An extended ab initio study of the rotation-vibration spectrum of HOC+
β Scribed by W.P. Kraemer; P.R. Bunker
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 910 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Thirty-live points on the potential energy surlace of the a'B, tlrsl exiled state for the GeH, radical have been calculated usmg the (ab initio) MRD CI technique\_ Thirteen parameters in an analytic expression [or the potenttal have been adJusted (by ia:-squarer; optimization) so that the sur1ace fi
A b initio Hartree-Fock calculations at the 6-31G\*//6-31G\* and MP3/6-31G\*//6-31G\* levels of theory are reported for propylamine. All ten stationary points needed in a description of the rotation around the C1-C2 bond have been located on the 6-31G\* surface and each of these points has been exam