Relative energies (kcal mol−1) for the reaction OH(2Π) + OH(2 Π) → H2O(1A1) + O(3 P) in presence of one H2O.
|H2O...HO(2A′) + OH(2Π)||0.00||0.00||0.00||0.00||0.00||0.00|
|H2O...OH(2A′′) + OH(2Π)||2.45||1.77||2.37||1.78||2.23||1.65|
|(OH...OH) + H2O (TS)||2.03||1.46||−0.01||−0.41||0.31||−0.09|
|[H2O]2 + O(3P)||−15.47||−12.59||−17.51||−14.60||−18.21||−15.54|
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