X-H bond activation on Cr(III),O sites (X = R, H) › Research Explorer

Novosibirsk State University's Research Portal

X-H bond activation on Cr(III),O sites (X = R, H): Key steps in dehydrogenation and hydrogenation processes

Research output: Contribution to journal › Article › peer-review

DOI

https://doi.org/10.1021/acs.organomet.6b00744
Final published version

Murielle F. Delley
Marius C. Silaghi
Francisco Nuñez-Zarur
Kirill V. Kovtunov
Oleg G. Salnikov
Deven P. Estes
Igor V. Koptyug
Aleix Comas-Vives
Christophe Coperet

Original language	English
Pages (from-to)	234-244
Number of pages	11
Journal	Organometallics
Volume	36
Issue number	1
DOIs	https://doi.org/10.1021/acs.organomet.6b00744
Publication status	Published - 9 Jan 2017

OECD FOS+WOS

Research areas

CHROMIUM OXIDE GEL, SELECTIVE PROPANE DEHYDROGENATION, TOTAL-ENERGY CALCULATIONS, GAMMA-ALUMINA SURFACES, AUGMENTED-WAVE METHOD, ELASTIC BAND METHOD, C-H, DEFECT SITES, HETEROGENEOUS HYDROGENATION, INDUCED POLARIZATION

ID: 10267607