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2142781349
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note
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Ab initio calculations were carried out at the MP2/6-311G(2df,2pd) level. All coordinates were relaxed during the search for stationary points. Energies were fully counterpoise-corrected for basis set superposition error and anharmonic zero-point energies. Harmonic frequencies were scaled by a factor of 0.94260. Frequency calculations for the dimers were performed at the MP2/6-31G* level.
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note
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+·Ar, respectively.
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