Talk:Mod:bg1512

Good beginning but the exercise is not finished. You had to optimise the boat TS, calculate the two activation energies and compare with the experimental values.

What happens to the C-C bond distance at the transition state geometry? Is the reaction synchronous or asynchronous? Could include plots of the TS HOMO/LUMO. Activation energies of 380,000 Kcal/mol?!?!?! Activation energy is not the absolute energy of the TS but the difference between the energy of the TS and the reactants.