Talk:Module1:MaDfnif05

1.2.1 Cp dimer: Excellent. Can you relate the high bend energy in 3 to its structure?

1.2.2 NAD: V. good. There is also a "C=O up" conformer of 7.

1.2.3 Taxol: Excellent!

1.3.1 CCl2: V. good

Mini-project: I'm not convinced by the lit assignment - NOEs on a conformationally flexible system! It would have been good if you had included a quantitative/statistical analysis of how well your calculated and lit data agree, because again, it's not clear to me that they do allow the isomers to be distinguished. I would have thought that the best approach would be to "tie together" the two OH groups in a cyclic acetal to reduce conformational flexibility, before doing NOEs.

Overall - your first parts are excellent; the mini-project needed a little more thought/discussion