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 |
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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 |
| _version_ | 1797882266022576128 |
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| author | S. P. Knyazev E. G. Gordeev E. A. Chernyshov |
| author_facet | S. P. Knyazev E. G. Gordeev E. A. Chernyshov |
| author_sort | S. P. Knyazev |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-10T03:33:14Z |
| format | Article |
| id | doaj.art-9c09b4982d284928b1cdffe2a1ee97fb |
| institution | Directory Open Access Journal |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| last_indexed | 2024-04-10T03:33:14Z |
| publishDate | 2006-04-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj.art-9c09b4982d284928b1cdffe2a1ee97fb2023-03-13T07:25:27ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752006-04-011277781384Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stabilityS. P. Knyazev0E. G. Gordeev1E. A. Chernyshov2M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571Reactions 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.https://www.finechem-mirea.ru/jour/article/view/1389 |
| spellingShingle | S. P. Knyazev E. G. Gordeev E. A. Chernyshov Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability Тонкие химические технологии |
| title | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability |
| title_full | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability |
| title_fullStr | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability |
| title_full_unstemmed | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability |
| title_short | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability |
| title_sort | thermodynamic factors of dicarba closododecaboranes 12 configuraction stability |
| url | https://www.finechem-mirea.ru/jour/article/view/1389 |
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