Comments

Cyclopentadiene

Nice results. Perhaps a little more detail on what is meant by kinetic control (diagram of potential energy surface?)

Taxol

Your optimised structures do not discussion the conformations of the rhs ring. Yours fore 10 appear to be twist boats? In your discussion, comments such as "As can be seen from the table below, both 9 and 10 have lower energy than their parent molecules and this stability accounts for their relative inertness" need expansion to discuss the heat of hydrogenation relative to a standard alkene. So you are rather thin on discussion.

NMR

Two chair forms are in fact possible for these taxol compounds. Did you establish if the other chair is higher or lower in energy? In Table 1, you measure a distance? But it seems to have no relevance to anything? So why did you include it? This makes me think you did not understand its purpose?

In Table 2, you show chemical shift plotted against atom number? But much much better to plot the DIFFERENCE between calc and obs shifts, since this shows deviation much better. Thus "However, deviations in both cases(1H and 13C) actually are small" but we need to know HOW SMALL? Is it small enough to be a good match?

Epoxides

Crystal structures

"orbital overlaps between these bonds and the carbonyl π* bond. " ? Do you mean the C-O sigma* bond? This is how the anomeric effect is normally explained. But you did identify all three anomeric centres, wsell done.

Nice discussion of the Jacobsen structure.

Epoxides

Was there any need to calculate both enantiomers? You know they will be identical in energy and geometry? (or do you?)

There are many values for these compounds in the lit; I suspect you selected the one that fitted your calculation best? You maybe should quote more lit values if you found them. Tables 8 and 9; you do not say what compounds they refer to? And why are the two lit values you quote for RR and SS so different?

Table 10. What compound does this refer to? And for which transition state (Shi or Jacobsen?) You have to put these details down in your report.

NCI

You write "RR transition state give out a larger green area". How did you estimate this? Could there be a better method? There are two table 9! For the second table 9, which of the 8 possible TS did you actually analyse in this table?

QTAIM

Nice analysis.

New alkene

Nice suggestion, but did you perhaps cost the starting alkene? This is an important consideration.

Overall, pretty good, but your attention to detail can be improved and we need a more thoughtful discussion in places.