Figure 3
From: The influence of a single water molecule on the reaction of BrO + HO2
The potential energy surface for the HO2 and BrO reaction in the existence of water taking place via BrO…H2O + HO2 and H2O…BrO + HO2 pathway are calculated at the CCSD(T)/aug-cc-pVTZ//B3LYP/6-311 + + G(d,p) level.
