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Relative Energies of α and β Isomers of Keggin Dodecatungstogallate

✍ Scribed by Sundaram, Karthik M.; Neiwert, Wade A.; Hill, Craig L.; Weinstock, Ira A.

Book ID
121494999
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
108 KB
Volume
45
Category
Article
ISSN
0020-1669

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📜 SIMILAR VOLUMES

On the structures and relative energies
On the structures and relative energies of CH3F⨥ isomers
✍ Willem J. Bouma; Brian F. Yates; Leo Radom 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 345 KB

Ab initio calculations have identified two isomers in the CH3F -+ potential energy surface, one corresponding to ionized fluoromethane (CH3F +. ) and the other to the methylenefluoronium radical cation (CH2FH-+). The latter is predicted to lie lower in energy by 46 kJ mol-1. Examination of rearrange