Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability
Reactions of isomerisation 1,2-C2B10H12 1,7-C2B10H12 and 1,7-C2B10H12 1,12- C2B10H12 were analyzed at B3LYP/6-311G(2d,2p) level of theory. Thermodynamic parameters of these reactions were calculated at 298 – 1000 K. These parameters conform experimental data.
| Main Authors: | , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
MIREA - Russian Technological University
2006-04-01
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| Series: | Тонкие химические технологии |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/1389 |