Comments

Cyclopentadiene

You should give Table A a caption tell us what it contains to conform to best practice. The energies in Table A., are they using Avogadro or ChemBio3D? (I think the two programs actually get different values). What are the units in the table (you should always quote units in a table).

However, I am baffled by your Jmol structures below the table. These are annotated with some very odd angles. These are not the angles which contribute to the bending energies in your analysis in the table? The angles are all very different, and I am not sure you have explained them very welll.

Taxol

Nice numerical results in table B (units?) The bending difference is easily the largest, and you should comment on this. You quote hydrogenation energies (nice), but what can you compare these with? Normally, cyclohexene is used as the reference (read the literature) I am not sure what HOMO-|LUMO gap or the other stuff is relevant to hyperstability. "So the carbonyl group is stable in both molecule 9 and 10" Again, you can only conclude about the alkene, not the carbonyl. Did you investigate any other chair forms, or indeed twist boats? Might any of these have been lower in energy?

NMR

More strange angles in the Jmol here? The NMR analysis is not presented optimally. You should present the error in the shift, not the shift itself. The discussion is very terse, and contains no statistical analysis of the results (read the lit to find out how this could be done).

Epoxide

X-ray

Well done, you teased out three anomeric effects. But you do not discuss any of them (two are interesting). A missed opportunity here. Again some very odd angles in your two Jmols of the crytal structure (angles?). So your discussion is not very convincing

NMR

The calculated NMR is not compared with any literature values? You were supposed to do the same as you had done for Taxol, and you are supposed to make this connection yourself (which is why we do not put it explicitely in the script).

OR

Your calc rotations for S,S and R,R are not the same by quite a margin. What went wrong? They are supposed to be the same in value, but only different in sign. There are no Jmols, so I cannot tell myself what the problem is. " The difference arises from the difference concentration temperature etc. " I am pretty sure this is not the problem. I suspect your conformations are incorrect. References for your literature values?

TS

You do not use the value for K to calculate the ee (this was needed). How would you go about doing this?

NCI and QTAIM

Fairlly low level analysis " Most region in this graph is green with slightly yellow, it means the transition state is stable". You should tease out a little more than that.

Candidate

Virtually no detail here to support your suggestion.

Overall, a lot of analysis was missing from your report.