View source for 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.