Talk:Mod:YB3JVVC0M3
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Cyclopentadiene
Very detailed and nice analysis. Perhaps some diagrams illustrating kinetic control?
Taxol
Again, nice discussion. But I think you missed a trick here. There are TWO chairs, and one is much lower than the other. The stability swaps between 9 and 10! (a real catch out). So if you factor this in, 10 does become lower than 9.
Did you think of calculating hydrogenation energies to investigate the hyper stability (and comparing these with eg cyclohexene)?
NMR
Same issue about two chairs applies here! Could you number your tables so that I can refer to them easily? Much better not to tabulate absolute shifts, but the DIFFERENCE between calc and obs. There is one big error which you do not discuss (S-C-S). A statistical approach is needed here.
Epoxides
Crystal structure
A diagram might help; the text alone is rather dense! I think its all there, but a bit difficult to find! Did you look at the orientation of the lone pairs in the anomweric effect? How would you approximate their position?
TS
Did you transpose 3 and 4 for RR? $ is supposed to be the lowest, not 3! But I completely missed the details analysis of these energies in terms of K and ee? You just quote a result, but I have no idea how you got it.
NCI and QTAIM
Picture? Only text! Thus you note TS (7), but your table only numbers to 4? The QTAIM analysis is better,with diagrams included.
NMR
"One significant problem is the lack of time-averaging magnetic equivalence" Problem? How? You just average the numbers. Is that a problem?
Rotations
None!
Suggested alkene
None!
You write very well, and the layout is excellent. But you missed some parts completely. Indeed computing the rotations, for comparison with the lab upstairs is actualy the most important part of the entire technique. And you did not do it.