A Gaussian-2 ab initio study of [C2H5S]+ ions: II. fragmentation pathways of CH3SCH2+ and CH2CHSH2+ revisited
β Scribed by S.-W. Chiu; Yu-San Cheung; Ngai Ling Ma; Wai-Kee Li; C.Y. Ng
- Book ID
- 114143389
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 407 KB
- Volume
- 468
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
By means of a geometry optimization at the MP2/6-3 lG(d) level, the CH302 radicals have been found to exist in five isomeric forms. In order of decreasing stabilities, they are: HO-CH-OH ( ) > 0-CH,-OH (2) > CH&-0 (3) > CH2-O-OH (4) > CHI OH-O (5). On the other hand, there are six CHpO$ isomers: HO-
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