These studies on the photoisomerization of azoben-zene inside optical cavities demonstrate that the details of the electronic structure and surrounding environment can have a strong influence on the ability of cavity coupling to control chemical reactions. In particular, it was seen that the reaction modeled in Fig. experienced more quenching and less steady state cis product compared to outside the cavity, whereas the reaction modeled in Fig. -f was able to enhance the isomerization relative to outside the cavity. These differences in reactivity can arise due to experimentally relevant differences in the details of the structural setup of the model, which may not be able to be captured in simpler model systems that lack ab initio detail. Thus, it is important to verify the results of simple model simulations with more realistic ab initio simulations whenever possible and to explore the different photochemical reaction mechanisms inside optical cavities that are possible when utilizing electronic structure calculations during the reaction dynamics.