Abstract
The binding energies for the reaction M + + CH 2 CHCH 3 → M +[CH 2 CHCH 3], for M = Ag, Au, are predicted using both second order perturbation theory (MP2) and coupled cluster theory (CCSD(T)). Systematically improving the quality of the atomic basis set to the complete basis set limit produces a monotonic improvement in the predicted binding energy for M = Ag relative to the experimentally determined value; the final predicted binding energy is within experimental error. Conversely, the same systematic improvement in the atomic basis set results in successively worse agreement at the MP2 level of theory.
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