The combination of experimental results and its theoretical interpretation at the structure-property interface is a natural step forward. In everyday chemistry both senses combine to give complementary information about the world; they are interdependent. The experimental results give us detailed data about a small area of focus whereas the theoretical insight provides general data from all around, alerting us to things outside our peripheral vision. The combination of these two gives much of the information we need for the generalization of the chemical senses. Thus an investigation of complexes as a means of presenting information on experimental result is necessary. This book provides a framework for integrating or determining structure property relationships that are relevant to molecular reactivity. From a chemical perspective probably the most important feature of the theoretical calculations is the insight they provide into how architectural and electronic structural properties of particular molecules lead to desired chemical/physical responses.