ABSTRACT

The material in this book, and indeed the very fact that the book exists, provides ample evidence for the growing maturity of computational organometallic chem­ istry. Computational methods, especially those based on ab initio quantum chem­ istry, are increasingly providing useful support and guidance to the experimental investigation of the properties of organometallic compounds. In this chapter, I want to address a very common type of reactivity of these compounds for which standard computational methods have not yet proved as successful and to outline the strategies that have been and will be used to tackle such systems.