Volume 101, 2005

13  Catalysis: Experimental and computational

Abstract

In this review we will consider some advances in catalysis in the broad areas of metathesis, C–H bond activation and partial oxidation. Homogeneous and heterogeneous systems will be highlighted and particular emphasis given to cases where simulation has been used as an aid to experimental development or to study systems that are currently experimentally unknown. The final sections cover simulation of the surfaces of heterogeneous catalysts and theoretical work on spin crossing reactions which is an area of current methodological development.

Article information

Article type
Review Article
First published
04 Oct 2005

Annu. Rep. Prog. Chem., Sect. B: Org. Chem., 2005,101, 333-351

13  Catalysis: Experimental and computational

D. J. Willock, Annu. Rep. Prog. Chem., Sect. B: Org. Chem., 2005, 101, 333 DOI: 10.1039/B500217F

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