Talk:Mod:dd1991 physical

Introduction

Good.

Cope rearrangement

All conformers successfully optimised. Good to discuss their relative energy. Good interpretation of the frequency calculation. TS successfully optimised using the different methods but you could have compared the results and presented the advantages and drawbacks of the methods... Good interpretation of the IRC calculation. Good conclusion about the preferred mechanism. Any comment about the agreement with experiments?

Diels Alder

Are secondary orbital effects the only way of rationalizing the differences between the endo and exo forms?