Thermochemical stability of the HO2–HClO4 complex

The thermochemical stability of the HO2–HClO4 complex is studied using both second-order Møller–Plesset perturbation theory (MP2) and the B3LYP density functional theory (DFT) method. Our calculations reveal stabilization energies of 11.1 and 13.2 kcal mol−1 at the MP2/6-311++G(3df, 3pd) and B3LYP/6-311++G(3df, 3pd) levels, respectively.