2. Most Stable Endohedral Fullertubes with the Xenon Dimer in the Transient Covalent State.
| fullertubes | [n,m] | Xe–Xe distance (Å) | charge on dimer Xe2 (a.u) | binding energy (kcal/mol) |
|---|---|---|---|---|
| C100 | 5,5 | 3.937 | 0.469 | –9.74 |
| C120 | 6,6 | 3.876 | 0.280 | –31.26 |
| C114 | 9,0 | 4.247 | 0.391 | –20.84 |
| C120 | 10,0 | 4.195 | 0.277 | –34.29 |
| C124 | 10,0 | 4.216 | 0.280 | –33.52 |
| C134 | 11,0 | 4.116 | 0.220 | –32.77 |
| C144 | 12,0 | 4.003 | 0.189 | –25.98 |