Talk:Mod 1: CouchMA

1.2.1 Cp dimers: Energies and structures are fine. Could you give a more quantitative answer for 3/4 hydrog? Note that it is not valid to compare 1/2 or 3/4 or5 as they are not isomers.

1.2.2 NAD: Good.

1.2.3 Taxol: Energies and structures are fine.

1.3.1 Carbene: Good to see you’ve picked up on the lack of symmetry in the PM6 orbitals. Can you think of why this happened? Good discussion.

Mini-project: That’s quite a flexible molecule and perhaps not the best choice if no 13C data was available. Good to see you’ve tried to predict the 1H spectra.

Overall: Perhaps not the best choice in molecule for your mini-project but a decent attempt nonetheless. Overall, a good piece of work.