Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species

Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species Научная публикация

Журнал

Chemical Physics Letters
ISSN: 0009-2614

Вых. Данные

Год: 2017, Том: 679, Страницы: 193-199 Страниц : DOI: 10.1016/j.cplett.2017.05.002

Авторы

Kovalskii V. ¹ , Shubin A. ^1,2 , Chen Y. ³ , Ovchinnikov D. ¹ , Ruzankin S.Ph. ¹ , Hasegawa J. ³ , Zilberberg I. ^1,2 , Parmon V.N. ^1,2

Организации

1	Boreskov Institute of Catalysis, Novosibirsk 630090, Russian Federation
2	Novosibirsk State University, Novosibirsk 630090, Russian Federation
3	Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan

Kovalskii V. , Shubin A. , Chen Y. , Ovchinnikov D. , Ruzankin S.P. , Hasegawa J. , Zilberberg I. , Parmon V.N.
Hidden radical reactivity of the [FeO]2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species
Chemical Physics Letters. 2017. V.679. P.193-199. DOI: 10.1016/j.cplett.2017.05.002 Scopus OpenAlex

Scopus:	2-s2.0-85019054000
OpenAlex:	W2610381005

БД	Цитирований
OpenAlex	13
Scopus	11