Talk:Mod:ht1010.2
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Cyclopentadiene
Nince diagram, but what about diagrams for kinetic control and the orbitals you mention?
Good results
Taxol
Good energies, but there another two chairs you could find,and some twist boats. What are their energies?
Hyperstabiity? Follow up with some hydrogen energies compared to a non hyperstable alkene?
NMR
Agsin, two chairs possible? Is yours actually the lowest? You could certainly improve the analysis presentation. For example, by plotting the DIFFERENCES between calc and obs. "This gives us a good degree of confidence in both our determined conformation" needs to be followed up with statistics, and comparison with literature in terms of goodneess of fit. There is one major outlier? (S-C-S? Why?) You missed a few tricks here.
Expoxides
Crystal structures
Shi has lots of numbers in your diagram but what do they all mean? There is no analysis here I am afraid! That is what matters. The differences in O-C bond lengths is the crucial point.
Your Jacobsen is better!
NMR
Again, you present the NMR results, but no statistical analysis of the goodness of fit.
Rotation
An interesting result showing how the mechanics geometry really does have to be re-optimised! There is no need however to prove that RR is equal but opposite to SS. Take that as a known. You only quote one value for the lit? But these compounds have tens of lit values!! Have you been selective in chosing the one that fits best?
TS
Analysis of energies? I suspect it must have been getting close to 23.59 at this point! The NCI surface does not work because the .xyz file is missing.
New alkene
Fairly obvious selection; in fact we tried it and it did not work very well.
Overall, much more discussion please, and you clearly ran out of time near the end.
But I have to say you present your Wiki exceedingly well!