Computational Chemistry and Non-noble Metal-catalyzed Cross-coupling Reaction Mechanisms

Abstract

This short overview discusses the contribution that computational methods can make to the study of reaction mechanisms in non-noble-metal-catalyzed cross-coupling reactions. The differences between such reactions and those catalyzed by more traditional noble metals are emphasized, together with the challenge this poses to computation.

Keywords

• computation chemistry
• cross-coupling
• non-noble metal catalysis