Selective Synthesis of the C 3 v Isomer of C 60 H 18
✍ Scribed by Wågberg, Thomas; Johnels, Dan; Peera, Ashgar; Hedenström, Mattias; Schulga, Yury M.; Tsybin, Yury O.; Purcell, J. M.; Marshall, Alan G.; Noreus, Dag; Sato, Toyoto; Talyzin, Alexandr V.
- Book ID
- 120449582
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 141 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1523-7060
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The relative energies of 18 isomers of C6oH 6 have been determined through geometry-optimized ab initio calculations. HF/6-31G\* computations on the two lowest energy structures determined at the HF/3-21G level indicate that 1,2,4,11,15,30-C6oH 6 (18, with a C6oBr6-1ike structure) lies only 0.4 kcal