Rep:Mod:tyl214
MOs with Jmol
MOs can be displayed using Jmol. This section covers a procedure to achieve this.
Exercise 1
| Energy / kJ mol-1 | ||||||
|---|---|---|---|---|---|---|
| S.M. | T.S. | Product | EA | ΔGr | ||
| Endo | 154.422861 | 237.7594324 | 56.98507596 | 83.33657136 | -97.43778504 | |
| Exo | 154.422861 | 241.7579705 | 56.32871711 | 87.33510951 | -98.0941439 | |
| Cheletropic | 154.422861 | 260.0782589 | -0.005250871 | 105.6553979 | -154.4281119 | |