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The model of AKU, having a naphthylene/naphthylene interaction in the gas phase gave no local minimum close to the X-ray structure upon optimizing with MP2/cc-pVDZ although some local minima, stabilized by π/π interaction stronger than CH/πn interaction, were found.
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The model of AKU, having a naphthylene/naphthylene interaction in the gas phase gave no local minimum close to the X-ray structure upon optimizing with MP2/cc-pVDZ although some local minima, stabilized by π/π interaction stronger than CH/πn interaction, were found.
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