A Path Sampling Study of Ru-Hydride-Catalyzed H Hydrogenation of Ethylene.

The article reports on a molecular dynamics and path sampling study of a catalytic cycle to resolve the nature of a ruthenium dihydride intermediate for ethylene dehydrogenation. The ethylene insertion process using path sampling were harvested. The trajectories provide a range of vibrational energy...

Descripción completa

Detalles Bibliográficos

Publicado en:	Journal of the American Chemical Society Vol. 130; no. 23; pp. 7218 - 7220
Autores principales:	Rowley, Christopher N., Woo, Tom K.
Formato:	Artículo
Publicado:	American Chemical Society 6/11/2008
Materias:	Molecular dynamics Sampling (Process) Ethylene Dehydrogenation Elimination reactions Spectral energy distribution
Acceso en línea:	Ver este registro en EBSCOhost