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38349005495
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Optimized geometries and relative energies are summarized in Figures S2-S6.
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Optimized geometries and relative energies are summarized in Figures S2-S6.
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16
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38349041036
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The η values were obtained as one-half of the sum of IP and EA
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The η values were obtained as one-half of the sum of IP and EA.
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38349040645
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We note that as K, an electropositive atom, is introduced, the energy levels of the Al13- cluster change overall increase and the MO splittings are small. See Figure S8
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- cluster change overall increase and the MO splittings are small. See Figure S8.
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19
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0030962288
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