Fragment-oriented design of catalysts based on the activation strain model

It is shown how a fragment approach toward analysing transition states (in terms of strained reactants that interact with each other: the Activation Strain model) provides a way of understanding the relative heights of reaction barriers and how this can be applied to achieving a more rational, fragment-oriented design of catalysts (FDC). The predictive value of the FDC approach is demonstrated in a computational application to Pd