Talk:Mod:rebeccalee3

Introduction

No general introduction.

Cope rearrangement

Good introduction to that exercise. All conformers successfully optimised. Good comment about their relative energy. Good interpretation of the frequency calculation. Chair and boat TS successfully optimised. IRC calculation run but what did you conclude from it? Which conformer does the TS lead to? Good comparison between the Chair and Boat TS. How does it compare with experimental values?

Diels Alder

What does the lowest real and imaginary frequency tell us about symmetry conservation through the TS. What does the interfragment C-C bond distance say about the position on the TS between reactant and product. Overall Can’t see any discussion on maleic anhydride + cyclohexadiene.