What is the Role of Graph Theory in Reaction Mechanism Analysis?
Graph theory can be used to analyze reaction mechanisms by representing the steps of a catalytic reaction as a graph. In this graph, the nodes represent different chemical species, and the edges represent the transitions between these species. By studying the connectivity and pathways within this graph, researchers can gain insights into the possible reaction mechanisms, identify rate-determining steps, and predict the behavior of the catalytic system under different conditions.
