Отрывок: At the same level of theory the values of vibrational frequencies and zero vibration energies, as well as the estimated energies of the molecular systems entering the reaction, were obtained. The refinement of energies to achieve chemical accuracy is carried out by G3(MP2, CC)//B3LYP composite method. Figure 1 — one of the possible reaction’s pathways. Energies is listed in...
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dc.date.accessioned2022-10-06 14:29:17-
dc.date.available2022-10-06 14:29:17-
dc.date.issued2022ru
dc.identifierRU\НТБ СГАУ\490228ru
dc.identifier.citationFluorene formation in the reaction of phenyl and benzyl radicals theoretical study // 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. 96.ru
dc.identifier.urihttp://repo.ssau.ru/handle/International-Conference/Fluorene-formation-in-the-reaction-of-phenyl-and-benzyl-radicals-theoretical-study-98877-
dc.language.isoengru
dc.sourceInternational Conference on Physics and Chemistry of Combustion and in Extreme Environments (Samara, Russia, 12-16 July 2022)ru
dc.titleFluorene formation in the reaction of phenyl and benzyl radicals theoretical studyru
dc.typeTextru
dc.textpartAt the same level of theory the values of vibrational frequencies and zero vibration energies, as well as the estimated energies of the molecular systems entering the reaction, were obtained. The refinement of energies to achieve chemical accuracy is carried out by G3(MP2, CC)//B3LYP composite method. Figure 1 — one of the possible reaction’s pathways. Energies is listed in...-
Располагается в коллекциях: International Conference on Combustion Physics and Chemistry

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