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In their recent works, Nachtigall and his coworkers have proposed a very reliable method to evaluate the wavenumber of IR bands due to the CO species adsorbed on alkali-ions and copper-ion exchanged zeolite samples. By utilizing their method, a detailed discussion of the comparison between the experimental and theoretical results may be possible. However, in the present work, we used the method described in the experimental section, because the cluster used is a small one and the discussion based on the theoretical data is only a qualitative one
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In their recent works, Nachtigall and his coworkers have proposed a very reliable method to evaluate the wavenumber of IR bands due to the CO species adsorbed on alkali-ions and copper-ion exchanged zeolite samples. By utilizing their method, a detailed discussion of the comparison between the experimental and theoretical results may be possible. However, in the present work, we used the method described in the experimental section, because the cluster used is a small one and the discussion based on the theoretical data is only a qualitative one.
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