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The fact that stronger bonds may come from less Pauli repulsion in addition to stronger attractive interactions has been discussed, for example, in: Esterhuysen, C, Frenking, G. Theor. Chem. Acc. 2004, 111, 381-389
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The δ contribution to the orbital term is always smaller than 2% and is not shown in Figure 3 for the sake of simplicity. We also remind the reader that the orbital interaction is not only due to charge transfer but also to charge polarization of the fragment's density due to the presence of the other fragment.
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The δ contribution to the orbital term is always smaller than 2% and is not shown in Figure 3 for the sake of simplicity. We also remind the reader that the orbital interaction is not only due to charge transfer but also to charge polarization of the fragment's density due to the presence of the other fragment.
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