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84920294301
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note
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The use of ligand pressures higher than 100 mTorr may lead to nonequilibrium growth of the ion - ligand complex in the gas expansion zone which occurs past the sampling orifice leading to the vacuum chamber and mass spectrometer. Due to the adiabatic gas expansion in this region, the gas temperatures are much lower, and at high ligand pressures association reactions can occur in this region.
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note
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2 at 0 K, was obtained from vibrational frequencies of the reactants evaluated with HF/3-21G*, Gaussian 96 method (see entropy evaluations, this work) and the rotational and translational heat capacity change.
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20
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84920294299
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note
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17a find that low level calculations generally overestimate the frequency values and suggest that the values should be multiplied by a factor ∼0.8. However the comparisons are based largely on the more abundant high frequencies. Very low frequencies make the major contributions to entropies S° evaluated at 298 K or below. It is not clear whether the same factor holds also for the very low frequencies, therefore, we have used the HF/3-21G* evaluated frequencies without change.
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25
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84920294298
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note
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2O may be quite similar for the Ag and Cu complexes.
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