Reaction Intermediates of CO Oxidation on Gas Phase Pd Clusters: A Density Functional Study.

The article focuses on a research about the structure and energetics of reaction intermediates in carbon monoxide (CO) oxidation by neutral and charged Pd. It states that scalar relativistic density functional theory (DFT) calculation was used in the study. It also cites three reaction pathways for...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 131; no. 37; pp. 13252 - 13255
Main Authors:	Kalita, Bulumoni, Deka, Ramesh C.
Format:	Article
Published:	American Chemical Society 9/23/2009
Subjects:	Intermediates (Chemistry) Carbon monoxide Density functionals Palladium catalysts Oxidation
Online Access:	View this record in EBSCOhost