A computational study of the HO2+ SO3→ HOSO2+3O2reaction catalyzed by a water monomer, a water dimer and small clusters of sulfuric acid: kinetics and atmospheric implications

Physical Chemistry Chemical Physics(2022)

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摘要
The reaction mechanisms and kinetics for the HO2+ SO3→ HOSO2+3O2reaction catalyzed by a water monomer, a water dimer and small clusters of sulfuric acid have been studied theoretically by quantum chemical methods and the Master Equation/Rice–Ramsperger–Kassel–Marcus rate calculations.
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