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The solvated dimer shown in Figure 4 is an isomer of the previously reported solvated one (refs 10 and 11). The present isomer is 0.7 kcal/mol more stable than the previous at the B3LYP/321A//B3LYP/321A level
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Experiments did not tell if this is a cuprate/enone complex or simply a lithium halide/enone complex
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