Отрывок: We reveal the gas phase chemistry synthesizing [5]-helicene along with atomic hydrogen via the bimolecular reaction of the [4]-helicenyl radical with vinylacetylene. The energies and molecular parameters of the local minima and transition states involved in the reaction were computed at the G3(MP2,CC)//B3LYP/6-311G(d,p) level of theory with a chemical accuracy of 3–6 kJ/mol for the relative energies and 0.01–0.02 Å for bond lengths as well as 1–2° f...
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Поле DC | Значение | Язык |
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dc.date.accessioned | 2022-10-06 14:28:56 | - |
dc.date.available | 2022-10-06 14:28:56 | - |
dc.date.issued | 2022 | ru |
dc.identifier | RU\НТБ СГАУ\490194 | ru |
dc.identifier.citation | Gas phase synthesis of [5]-helicene // International Conference on Physics and Chemistry of Combustion and in Extreme Environments (Samara, Russia, 12-16 July 2022) / V. N. Azyazov, A. M. Mayorova. - Samara : Publishing OOO “Insoma-Press”, 2022. - P. 71. | ru |
dc.identifier.uri | http://repo.ssau.ru/handle/International-Conference/Gas-phase-synthesis-of-5helicene-98852 | - |
dc.language.iso | eng | ru |
dc.source | International Conference on Physics and Chemistry of Combustion and in Extreme Environments (Samara, Russia, 12-16 July 2022) | ru |
dc.title | Gas phase synthesis of [5]-helicene | ru |
dc.type | Text | ru |
dc.textpart | We reveal the gas phase chemistry synthesizing [5]-helicene along with atomic hydrogen via the bimolecular reaction of the [4]-helicenyl radical with vinylacetylene. The energies and molecular parameters of the local minima and transition states involved in the reaction were computed at the G3(MP2,CC)//B3LYP/6-311G(d,p) level of theory with a chemical accuracy of 3–6 kJ/mol for the relative energies and 0.01–0.02 Å for bond lengths as well as 1–2° f... | - |
Располагается в коллекциях: | International Conference on Combustion Physics and Chemistry |
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978-5-4317-0481-9_2022-71.pdf | 320.3 kB | Adobe PDF | Просмотреть/Открыть |
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