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The HO 2  + SO 2  → HOSO +  3 O 2  reaction without and with (H 2 O) n  ( n  = 1–3) have been investigated using CCSD(T)/CBS//M06-2X/aug-cc-pVTZ methods, and canonical variational transition state theory with small curvature tunneling.

Catalytic effect of (H2O)n (n = 1–3) clusters on the HO2 + SO2 → HOSO + 3O2 reaction under tropospheric conditions