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Fig. 1


Reaction profile for the gas-phase reaction OH(2Π) + OH(2 Π) → H2O(1A1) + O(3 P). Energies in kcal mol−1 are from CCSD(T)/aug-cc-pVTZ (including ZPE). Less expansive calculations (CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVDZ are given in parentheses.

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