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.
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Russo |
| Publicat: |
MIREA - Russian Technological University
2011-08-01
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| Col·lecció: | Тонкие химические технологии |
| Matèries: | |
| Accés en línia: | https://www.finechem-mirea.ru/jour/article/view/814 |
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