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Cyclopentadiene

Why did you transpose the numbering for 3/4? Your answers are correct, but the reversed numbering is confusing!

In yoru discussin comments such as "The interactions between occupied and unoccupied orbitals owe to favourable orbital symmetry which result in a lower transition state energy." need substantial expansion. Diagrams etc.

Taxol

You nicely quote four energies for both 9 and 10 (nolt everyone did!). Well done. How would you test the hyperstability hypothesis (answer, calculated the hydrogenated forms and compare them with cyclohexene).

NMR

I like your calculations, but where is the comparison with the literature? Present it in the form of a table and statistical analysis, not just brief text.

Epoxides

X-ray

So there are three anomeric centres. Your text does not make clear how they each differ. Thus "explanation for this lies with the anomeric effect, where a form of stabilisation takes place between the lone pair of the heteroatom member of the ring and a σ* orbital of

an axial C-O bond" is a bit too general. You could indicate what the alignment of this lone pair with the C-O bond actually is (or at least estimate it). Not much quantitative discussion for the Jacobsen.

NMR

A statistical presentation of the errors in the NMR prediction can help identify outliers (if any).

OR

Why did you compute both (R,S) AND its enantiomer? There is absolutely no needto do this, since the outcome is certain. "A wide range of results unearthed by a literature search negated " Can you quote some of these? You can do a better job at comparing with the literature.

TS

Nice comprehensive analysis. "his K value reflects the enantiomeric excess," Can you not convert K to the exact value of ee?

NCI and QTAIM

Discuss a few more of the specific NCI regions, but not bad discussion here.

Good  qTAIM.

Suggestion

Good one. Well done, you have thoroughly investigated its viability.