Ab initio potential energy curves for SH
โ Scribed by Hirst, David M.; Guest, Martyn F.
- Book ID
- 121462455
- Publisher
- Taylor and Francis Group
- Year
- 1982
- Tongue
- English
- Weight
- 415 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Potential enera surfaces for the grotmd and excited state interactions of Hz with H$ have been c&x&ted using SCF and CI techniques. Six geometries have been studied, in which the Hz and G bond lengths were restricted to their eqtii mm values, and t3e intermolecular Hz-G distance was varied from 05 t
Ab mltio calcuhl~ons on CH4 -CHI + H were periormed at the MP4/6-3lC\*' level mcludmg all single. double trlplc and qusdruplc ekclrxtions Although triple e\atallons have httle cficct on the dissociation energy. they are very important m the 2-3 A range. The polentlal curve appears 10 IIS~ more shxpl