Ab initio molecular orbital calculations were performed on the possible pathways of the carbon-catalyzed oxidation of SO by O / H O to form sulfuric acid. Both zigzag and armchair edge sites of graphite, with and without surface oxide, were 2 2 2 considered as the possible active sites. For the site
✦ LIBER ✦
Ab Initio Molecular Orbital Study of the Unified Mechanism and Pathways for Gas−Carbon Reactions †
✍ Scribed by Chen, Ning; Yang, Ralph T.
- Book ID
- 121856132
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 265 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1089-5639
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