A Theoretical Study of the Insertion of Atoms and Ions into Titanosilsequioxane (Ti-POSS) in Comparison with POSS
Figure 4
The B3LYP/6-311+G(d) and HF/6-311+G(d) (in parentheses) optimized geometries of exohedral and endohedral complexes of F− and Ti-T8 and the transition state for the “Axial” (a) “Equatorial” (b) isomerization in angstroms.
