Ab initio study of the 1,5-dithiacyclooctane radical cation and its dimer dication
โ Scribed by Naofumi Nakayama; Ohgi Takahashi; Osamu Kikuchi; Naomichi Furukawa
- Book ID
- 114141418
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 327 KB
- Volume
- 542
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
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Ab initio calculations are performed for AgNH 3 and Ag+NH3 at the MP2 level of theory. The equilibrium structures show C3v symmetry, the Ag-NH 3 (Ag+-NH3) stabilization energy is 0.20 eV (2.00 eV). The frequencies of the silver-ammonia stretching and bending vibrations are calculated. The theoretica