Comments

Cyclopentadiene

Not sure about your reason for using MM2? You extoll the virtues of MMFF94, but then do not use it? It is also useful to specify the program, since the same force field in different programs does not always give the same answer. I will presume ChemBio3D was used. You mention kinetic vs thermodynamic control, but a diagram or two to illustrate what this means is always helpful.

Good results!

You identify the bending energy as the discriminator between 3/4, but again a bit more discussion of this point can be teased out if you try.

Taxol

You found a twist boat and a chair for both 9/10, but did you try for the two other chairs for each? Which if 9/10 is the most stable experimentally (you can cite a reference for this)? But your results for both are very good.

NMR

You spotted (I think) that you need to average the methyl groups. Why did you calculate 17 in the twist boat?

Fro the 13C, much better to list the DIFFERENCES between obs and calc rather than absolute values. That way outliers are spotted more easily.

For relative energies, quote the difference again, not the absolute values. These again are far easier to analyse.

Goo results.

Epoxides

Crystal structures

A very nice perceptive analysis of both structures.

NMR

Odd. Your RR and SS spectra should be IDENTICAL. But they are not. Why not? Why did you calculated both enantiomers? Is there any need? Think it through.

Rotations

Again, why did you calculate BOTH enantiomers? Is there any need?

"indicating that the structure of which the computed values were run was not in fact the lowest energy form" Where is the evidence for drawing that conclusion? There may be many other factors at play, mostly deriving from the quantum mechanical model.

TS

"The lowest energy transition state above is TS# 4 in the (R,R) series, which is (R,R) trans-stilbene with the phenyl group orientated exo to the fructose ring." Stilbene? Did you mean styrene?

"meaning that the equilibrium lies almost completely to the right, therefore (R,R) is in enantiomeric excess" Its not an equilibrium strictly, its the diastereomers of the Fructose transition state rather than the epoxide itself.

NCI/QTAIM analyis

Wonderful and thorough! Well done!

New suggestion

I think it was suggested that you find candidates with a rotation > +/- 400? Yours has 26? Are you sure about this? and the wavelength you report it measured at is a bit odd as well (596? No commercial polarimeter works at that wavelength?) I am not sure mind you that tetrasubstituted alkenes work with these two catalysts.

Overall, a very good report, with just a few blemishes. Well done.