Ab initio molecular-orbital calculations have been carried out on the H,SiN+ cation (C,,). In contrast with the isovalent H&N+ ion (C,,), a triplet state ('AZ) is the most stable, but the singlet state ('A, ) appears to be a local minimum, even at correlated levels. However, this singlet species ise
A comparative theoretical study, from ab initio calculations, of the 1Σ+ states of CN+ and CN−
✍ Scribed by J.B. Moffat
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 331 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0022-2860
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