Also studied were the direct and indirect atomic-level mechanisms for forming CH3I + OH(-), CH2I(-) + H2O, and CH3OH + I(-). The CH3(-) + IOH singlet products are only given by the restricted B97-1 simulation and the lower energy CH3 + IOH(-) doublet products are only formed by the unrestricted B97-1 simulation. Unrestricted B97-1 and restricted and unrestricted CAM-B3LYP simulations were also performed at 100 kcal/mol to compare with the restricted B97-1 results. For these energies the major dissociation products are CH3I + OH(-), CH2I(-) + H2O, and CH3OH + I(-). Restricted B97-1 simulations were performed to study dissociation at 65, 75, and 100 kcal/mol and the (-) ion dissociated exponentially, in accord with RRKM theory. Direct dynamics simulations were used to study dissociation of the (-) complex ion, which was observed in a previous study of the OH(-) + CH3I gas phase reaction (J.
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