AN ACCURATE DETERMINATION OF THE HO2 HEAT OF FORMATION

The heat of formation of HO2 has been determined using highly accurate ab initio calculations. Our computed value is 3.5 +/- 0.5 kcal/mol at 0 K (or 2.8 +/- 0.5 kcal/mol at 298 K). The accuracy of the current result is estimated on the basis of calibration calculations on H-2, OH, H2O, O2, and H2O2, which are also discussed in this work.