Ab initio study of the oxidation of CH3SH to CH3SSCH3
β Scribed by Rois Benassi
- Book ID
- 105885689
- Publisher
- Springer
- Year
- 2004
- Tongue
- English
- Weight
- 328 KB
- Volume
- 112
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
The geometries of HOOH, CH300H, and CH300CH utro optimized with different basis sets (3-216. S-316 et4 ana 995\*') at different levels of theory (HF. HP2, fiP4, and CI). HF/3-2lC optirizations result in planar trans conformations for all three peroxides. HF/6-3lG\*+ calculations predict Skew conform
Products and mechanisms of the reaction between the nitrate radical (NO3) and three of the most abundant reduced organic sulphur compounds in ~he atmosphere (CH3SCH3, CHsSH and CH3SSCH3), have been studied in a 480 L reaction chamber using in situ FT-IR and ion chromatography as analytical technique