Thermodynamic stability of isomers of mono- and dianions of dicarba-nido-undecaborates
The structural and thermodynamic parameters of isomers of mono- and dianions of dicarba-nido-undecaborates were calculated by DFT (B3LYP/6-31G**, B3LYP/6-311+G**, M062X/6-311+G**, PCM/B3LYP/6-311+G**), MP2 (MP2/6-311+G**), G2MP2, G2 approximations.
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | Russian |
| Published: |
MIREA - Russian Technological University
2011-08-01
|
| Series: | Тонкие химические технологии |
| Subjects: | |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/814 |