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Synthesis, Isolation, and Equilibration of 1,9- and 7,8-C70H2

✍ Scribed by Henderson, C. C.; Rohifing, C. M.; Gillen, K. T.; Cahill, P. A.


Book ID
115443118
Publisher
American Association for the Advancement of Science
Year
1994
Tongue
English
Weight
822 KB
Volume
264
Category
Article
ISSN
0036-8075

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Ab initio SCF MO results for the carbora
✍ Benjamin M. Gimarc; Baiching Dai; Jane J. Ott 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 246 KB

We report the geometry-optimized total energies and bond distances for the closo-carborane isomers 3,5-CzB6H8, 1,7-CzB7Hs, and 1,2-CzB7Hs calculated by the ab initio SCF MO method using the STO-3G basis set. Relative energies are compared with those of the other carborane isomers in the 8-and 9atom