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Ab Initio Study of the CH 3 F···H 2 O Complex †

✍ Scribed by Monat, Jeremy E.; Toczyłowski, Rafał R.; Cybulski, Sławomir M.


Book ID
126121350
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
109 KB
Volume
105
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


A Gaussian-2 ab initio study of isomeric
✍ Yu-San Cheung; Wai-Kee Li 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 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-