Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than
โฆ LIBER โฆ
A G2 ab initio study of C2H5S+ ions: I. Structures, energetics, and unimolecular isomerizations of non-carbenoid isomers
โ Scribed by S.-W Chiu; Yu-San Cheung; Ngai Ling Ma; Wai-Kee Li; C.Y Ng
- Book ID
- 114143051
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 667 KB
- Volume
- 452
- Category
- Article
- ISSN
- 0166-1280
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