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Ab initio method study on the isomerization of 3-amino-2-pyridone

โœ Scribed by San-Guo Hong; Yong-Hong Li; Wen-Lin Feng


Book ID
114140937
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
114 KB
Volume
530
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


A Gaussian-2 ab initio study of isomeric
โœ Yu-San Cheung; Wai-Kee Li ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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-