110
P. R. P. Barreto et al.
Fig. 4 Potential energy curves of propylene oxide–Ne of the fourteen leading configurations. The
ab initio points are indicated by symbols and the Rydberg fitting by lines
the equilibrium, while V4, where the rare-gas atom is directed along the H, is less
stable and at higher values of the equilibrium distance. Configurations E3 and E5, i.e.
the “edges” CH 3 –H and CH 2 –H, also present higher values of the minimum energy
and equilibrium distance, with respect to the other E configurations. Concerning F
configurations, F2 and F3 present the highest repulsive character. It is important
P. R. P. Barreto et al.
Fig. 4 Potential energy curves of propylene oxide–Ne of the fourteen leading configurations. The
ab initio points are indicated by symbols and the Rydberg fitting by lines
the equilibrium, while V4, where the rare-gas atom is directed along the H, is less
stable and at higher values of the equilibrium distance. Configurations E3 and E5, i.e.
the “edges” CH 3 –H and CH 2 –H, also present higher values of the minimum energy
and equilibrium distance, with respect to the other E configurations. Concerning F
configurations, F2 and F3 present the highest repulsive character. It is important