**Acknowledgements**

**Figure 2.** (a) A qualitative drawing of the orbital interactions between the metal fragment and Li<sup>+</sup>

deformation densities, Δρ, for the pairwise orbital interactions between the two fragment in their closed-shell state, the associated interaction energies, ΔEorb (in kcal/mol), and the eigenvalues ν. The eigenvalues, ν, indicate the size of

of the most important interacting occupied and vacant orbitals of the metal fragments and Li<sup>+</sup>

the charge flow. The direction of the charge flow is from yellow to the green.

120 Fullerenes and Relative Materials - Properties and Applications

@C60; (b) the shape

@C60; (c) a plot of the

The authors would like to thank the National Center for High-Performance Computing in Taiwan for the donation of generous amounts of computing time. The authors are also grateful for financial support from the Ministry of Science and Technology of Taiwan.
