ABSTRACT

Organometallic chemistry is interesting in part because it has applications to cata­ lytic processes. Since the discovery of C -H bond activation and the homogeneous hydrogenation of olefins, the importance of organometallic complexes has been undisputed. Many experimental studies of organometallic catalysis have focused on catalyst and substrate structure, kinetics of transformations, mechanisms, ther­ mochemical properties, turnover, selectivity, etc., and a massive quantity of ex­ perimental data has been accumulated. Molecular mechanics can be used to com­ pile and analyze these data in order to direct the design of novel catalytic systems.