Talk:Mod:Pew2014
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cyclopentadiene
Nice presentation, good results and discussion.
Taxol
There are two chairs for both 9 and 10; did you find the lowest of each in each case? With hyper stability, you could investigate further by hydrogenating both forms and proving hyper stability!
NMR
"hese simulations were done using Gaussian assuming Chloroform was used as solvent." Why? I believe the experimental spectrum is in benzene? Table 4, is it for 17 or 18? (not stated?) The comparison of predicted vs expt spectra is very tabular, and its presentation not the most effective way in which to show the match. Did yo do any statistics? There is no comment on the big difference 86 vs 74 ppm?
Epoxides
X-ray
"Therefore it can be assumed that the anomeric effect only occurs in this OCO anomeric centre." But why? More analysis needed!
NMR
Again a more visual, statistical approach is needed.
Rotations
Good, but these epoxides have more than one lit value?
TS
You report calculations, but do they match expt? More discussion of whether the results match observation needed.
NCI
? The diagrams you show are NOT those for the Shi or Jacobsen transition states? One for example is ethane diol; what relevance does that have?
Suggestion
Missing
Overall, much lack of attention to detail and in depth analysis of the results.