Talk:Mod:S1R9J9S3
Feedback
Generally, do write a short paragraph introducing what you intend to do.
cyclopentadiene
Good results and discussion, but could write a little more about what kinetic control is and how it applies to these systems.
Taxol
You report just a single chair and a single twist boat. In fact there are two chairs possible; how do you know yours is the lowest energy?
Re hyperstable, you need to compare your results with a "normal" alkene, lets say cyclohexene.
NMR
You report that the lowest energy is a chair, but which chair? I cannot find any coordinates for your selected chair, so cannot comment.
Table ⅞ are presented as raw numbers but you could do more statistical analysis particularly for table 8. Are there any anomalous fits? If so,discuss (there is at least one big discrepancy).
Crystal structures
You could discuss the bond lengths in terms of how the lone pairs align with respect to the adjacent C-O bonds and how this influences the bond lengths. Good analysis of the Jacobsen catalyst.
Epoxides
No need for all the mechanics details, and in particular repeating for the enantiomers. You KNOW they will be identical in terms of energies, you can take that for granted.
Good results for the calculated and obs rotations, and for the TS energies.
The computed NMR properties for your expoxides are presented only as diagrams, with no statistics for the fit?
NCI analysis
Your diagram in section 1.7 was missing when I viewed your report.
Candiate
What are the expected properties of your suggested alkene? Cost?
Overall, a good report, although a little more statistics on the NMR would have really helped.