Theoretical study of acidity of dicarbacloso-dodecaboranes(12) and their chloroderivatives
Quantum-chemical calculation of o-, m-, p-carboranes(12) and C2H2B10Cl10 has been carried out by RHF, DFT(B3LYP) and MP2 methods (6-31G** and 6-311++G**). The analysis of electronic structure of these molecules has been performed. The correlations between electronic and thermodynamic parameters with...
| Main Authors: | , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
MIREA - Russian Technological University
2008-02-01
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| Series: | Тонкие химические технологии |
| Online Access: | https://www.finechem-mirea.ru/jour/article/view/1463 |