(1,2)-HAA exhibits the lowest free energy of reaction due to side-products associated with its formation pathway, which demonstrates that the formation of (1,2)-HAA is both kinetically and thermodynamically more favorable (Fig. ). The contribution of other reaction pathways to HAA yield is predicted to increase with temperature, and the difference between (1,2)-and (5,6)-HAA becomes smaller, which is in consistent with the experimental trend (Table .1). a. Among the seven reaction pathways that lead to the formation of (5,6)-HAA, the pathway through the intermediate INI10 is presented in the table selected because it has the lowest overall and absolute barrier and the shortest pathway.