Отрывок: Vibrational frequencies have been computed at the same level of theory to characterize stationary points as local minima or transition states, to obtain zero-point vibrational energy corrections (ZPE), and to be utilized in partition function calculations. Further, the wB97XD optimized geometri...
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dc.date.accessioned2022-10-06 14:29:18-
dc.date.available2022-10-06 14:29:18-
dc.date.issued2022ru
dc.identifierRU\НТБ СГАУ\490230ru
dc.identifier.citationC3H2 oxidation by molecular oxygen: a 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. 98.ru
dc.identifier.urihttp://repo.ssau.ru/handle/International-Conference/C3H2-oxidation-by-molecular-oxygen-a-theoretical-study-98879-
dc.language.isoengru
dc.sourceInternational Conference on Physics and Chemistry of Combustion and in Extreme Environments (Samara, Russia, 12-16 July 2022)ru
dc.titleC3H2 oxidation by molecular oxygen: a theoretical studyru
dc.typeTextru
dc.textpartVibrational frequencies have been computed at the same level of theory to characterize stationary points as local minima or transition states, to obtain zero-point vibrational energy corrections (ZPE), and to be utilized in partition function calculations. Further, the wB97XD optimized geometri...-
Располагается в коллекциях: International Conference on Combustion Physics and Chemistry

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