Talk:Mod:hardi180288

1.1 Good structures and energies. 1 and 2 are configurational isomers, not conformational! 3 and 4 are regioisomers, not conformers.

1.2 Good. There is another conformer of 7 with the carbonyl "up".

1.3 Your structures and energies, and your discussion of the spurious ones you found along the way, are excellent.

1.4 Again, very good. We think this reaction is rather more complex than the paper suggests, and more sophisticated modelling is probably needed!

1.5 Good

1.6 Good! Would have been good to include some kind of quantitative/statistical analysis to back up your assertion that the calculated and experimental shifts match well. Note that several close peaks of similar ppm are not "multiplets"; that term is reserved for lines arising due to spin-spin couplings.

Overall excellent - and very well written/presented. Shame you didn't choose your own mini-project, as you seem to have really got to grips with the calculations!