Journal of the American Chemical Society, Vol.121, No.37, 8592-8596, 1999
Water complexation as a means of stabilizing the metastable HO3 radical
The metastable intermediate HO3 is found to be stabilized by formation of a complex with water. We have calculated the geometry and energy of the HO3-H2O complex, which is 6.5 kcal mol(-1) lower in energy than isolated HO3 and H2O.