Endohedral complex, stabilization energy

TABLE 12. Encaged ion population (IVion), HOMO and LUMO energies (eV) and stabilization energies (AE, kcalmol-1) of endohedral complexes of Ygo (Y = C, Si and Ge) with various ionsaA.c... 

The Global HSAB Principle Stabilization Energies of Endohedral Complexes of Si and Ge with Monoatomic Cations and Anions. 

Table 5 BSSE corrected stabilization energies of the endohedral complexes.

The HF/DZP calculations presented in Table 9 also reveal that the exohedral complexes, i.e. the species with the lithium and sodium monocations located outside the Ceo cage, have energies significantly lower than their endohedral counterparts. The enhanced stability of the exohedral complexes is easily accounted for by noting that the endohedral potential is larger than the electrostatic potential at a comparable distance outside the host cage. However, these energy differences do not... 

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