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An ab initio molecular orbital study of the CH3O2 and CH3O2+ potential energy surfaces

✍ Scribed by Yu-San Cheung; Wai-Kee Li


Book ID
113258266
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
859 KB
Volume
333
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


A Gaussian-2 ab initio study of isomeric
✍ Yu-San Cheung; Wai-Kee Li πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 570 KB

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-