Talk:Mod:ahl10mod3

Introduction Good introduction. Be careful: Gaussview is a software that allows you to visualize the molecules, the molecular orbitals for example and to interact with Gaussian – Gaussian actually does the calculation not Gaussview.

Cope rearrangement Good introduction for the Cope rearrangement exercise. All conformers were successfully identified. Good discussion about their relative energy. Frequency calculation well understood and interpreted. Chair and Boat structures successfully identified with the different methods proposed. Good interpretation of the IRC calculation and about the preferred mechanism.

Diels-Alder The fact that the asynchronous mode has a real frequency shows that this process is uphill in energy (and therefore symmetry breaking does not occur from the TS).

Imaginative solution for linking animations.