Comments

Cyclopentadiene

Figures 1,3,4 have the double bond in the wrong position.

Good results, well discussed. Maybe mention the forcefield used.

Taxol

You're missing two methyl groups on the C1-bridge in the 2D structure.

There's several conformations fo each isomer, e.g. chair and boat structures. Do you think you have the lowest energy isomers?

What's an "OS value"? Provide the references as links

Nice use of the C-C=O bond angle to explain the steric stress.

NMR

Good use of the wiki formatting tools. Nice overview of all the data. Well done on averaging the Methyl protons.

Putting those values in the same table would have made it easier to compare them.

Good explanation, but maybe you can mention other protones than the methyl group. olefine ones for example.

Well done on showing the 13C data, differences can easily be seen (including the sign! :)). You should have talked a bit more about it. I see this -20ppm difference and don't know which carbon it's attributed to. Could have explained and marked the carbon in the 2D image.

Epoxide

Nice referencing with the atom numbers. Good explanantion.

You completely ignored the transition states. You mention later you take the 4th RR molecule, but no discussion there either.

An introduction to stereochemistry erlated to your molecules would have been helpful.

NMR

comparison with literature values would have been nice. referencing of data (DOI) for others to follow your reason.

The presentation of the data could have been better. Why do you list all the spin couplings if you don't even talk about them? The formatting goes crazy in this chapter, too.

"Assigning the absolute configuration of the product" nice introduction, good references.

Rotations

You didn't do any of the optical rotation calculations?

Give some explanation on how you arrived at the stereochemistry for styrene and stilbene.

TS

You left this part out completely.

QTAIM and NCI

"I choose the forth transition state in R,R series.[8] " Good! Explain why?

Well, it's not a molecule, but a transition state between two molecules and it is not stable at all. You could have pointed out certain details in interactions - like hydrogen bonds.

What is BCP? You may explain this in a bit more detail. How can you tell it's a non-covalent bond?

It will not only contort the shape, but form new bonds there.

Suggestion

Altogether good write-up. Could have been discussed in more details at times. Some tasks were missing?