Investigation of cyclopropane stereomutation by quasiclassical trajectories on an analytical potential energy surface

A study was conducted on the quasiclassical molecular dynamics on an analytical potential energy surface for the stereomutation of cyclopropane. Computation of harmonic vibrational frequencies was done to characterize the stationary points on the trimethylene potential energy surface. Then, recomputation of the energies of these stationary points were made at the CASPT2N/6-31G* level. The findings indicate that stereomutation of cyclopropane does not significantly depend on the details of the surface.