Репозиторий Самарского университета

Отрывок: Fig. 1 The C9H7 + O2 reaction pathway leading to the ortho-vinylphenyl radical C8H7 formation: the energies are indicated for both CCSD(T) and G3(MP2,CC) levels of theory. The reaction can proceed by two possible pathways; both of them involve O2 insertion into the 5-membered ring ...

Название :	The rate constants calculations and the potential energy surface for indenyl C9H7 +O2 reaction by ab initio methods
Авторы/Редакторы :	Ghildina, A.R. Mebel, A.M. Azyazov, V.N.
Дата публикации :	2018
Издательство :	Publishing OOO “Insoma-Press”
Библиографическое описание :	Ghildina A.R. The rate constants calculations and the potential energy surface for indenyl C9H7 +O2 reaction by ab initio methods / A.R. Ghildina, A.M. Mebel, V.N. Azyazov // International Conference on Combustion Physics and Chemistry // (Samara, Russia, 24-28 July): proceeding of the conference / Samara University; Edited by A.M. Mebel and V.N. Azyazov – Samara: Publishing OOO “Insoma-Press”, 2018 – p. 85
URI (Унифицированный идентификатор ресурса) :	http://repo.ssau.ru/handle/International-Conference-on-Combustion-Physics-and-Chemistry/The-rate-constants-calculations-and-the-potential-energy-surface-for-indenyl-C9H7-O2-reaction-by-ab-initio-methods-71358
ISBN :	978-5-4317-0298-3
Другие идентификаторы :	Dspace\SGAU\20180813\71358
Располагается в коллекциях:	International Conference on Combustion Physics and Chemistry

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