Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries

Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries Научная публикация

Журнал

Journal of the American Chemical Society
ISSN: 0002-7863 , E-ISSN: 1520-5126

Вых. Данные

Год: 2021, Том: 143, Номер: 19, Страницы: 7326-7341 Страниц : DOI: 10.1021/jacs.0c10791

Авторы

Trummer David ¹ , Searles Keith ¹ , Algasov Alexander ^2,3 , Guda Sergey A. ^2,3 , Soldatov Alexander V. ³ , Ramanantoanina Harry ⁴ , Safonova Olga V. ⁴ , Guda Alexander A. ³ , Copéret Christophe ¹

Организации

1	Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland
2	Institute of Mathematics, Mechanics and Computer Science, Southern Federal University, Milchakova 8a, Rostov-on-Don, Russia, 344090
3	The Smart Materials Research Institute, Southern Federal University, Sladkova 178/24, Rostov-on-Don, Russia, 344090
4	Paul-Scherrer-Institute, CH-5232 Villigen, Switzerland

Trummer D. , Searles K. , Algasov A. , Guda S.A. , Soldatov A.V. , Ramanantoanina H. , Safonova O.V. , Guda A.A. , Copéret C.
Deciphering the Phillips Catalyst by Orbital Analysis and Supervised Machine Learning from Cr Pre-edge XANES of Molecular Libraries
Journal of the American Chemical Society. 2021. V.143. N19. P.7326-7341. DOI: 10.1021/jacs.0c10791 Scopus OpenAlex

Scopus:	2-s2.0-85106367657
OpenAlex:	W3162992104

БД	Цитирований
OpenAlex	54
Scopus	43