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0141795246
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note
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7. This behavior is similar to the case of stabilization related to d electron configurations. Therefore, the total binding energies of heptasolvation obtained by MP2 and Hartree-Fock calculations depend on the central cations in the almost same way.
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38
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0141460349
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note
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j(r) (c is a constant). (6) For further details, see Ref. 16.
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39
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0141460348
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note
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z2, we picked up the states having the largest coefficient of the configuration. The correlation coefficient of the excitation energies with the difference between orbital energies related to the excitation is 0.99. The excitation energies are dominantly ruled by the orbital energy differences and relaxation in the excitation has a constant effect on a series of these compounds.
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