Nonempirical LCAO MO SCF and configuration interaction calculations are reported for the ground state and the low lying 2A′ state of HO2. The first excited 2A′ state of HO2 is found to be approximately 17 kcal above the ground state. The correlation diagram for the reaction H+O2⇌OH+O and the importance of the low lying 2A′ state of HO2 are discussed.
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Gole et al. (1972) studied this question.
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