Comments

Cyclopentadiene data = 100%, discussion 90%

nicely written. maybe just include one angle in the text (but that's a minor thing really)

Taxol (data =80%, discussion=90%)

Quick intro to Taxol would be nice. Good: Details on what the problem is and what methods were used!

again, describe the angles shortly in the text. it makes a much nicer read.

For each isomer there's different conformations (cyclohexane: boat, seat, twist) which you mention in the text as well. But you never went any further along that line. So, can you be 100% sure you have the lowest energy conformer every time? ;)

Doesn't Maier et al. point out that the olefines are less strained due to decreased H-H interactions?

Nice lit ref!

NMR (data =100% discussion = 100%)

Nice intro, well done on the heavy atom effect and the methyl averaging. Good reference.

Well-presented ppm difference!

Would have been nice if you could have discussed that the carbon with the big difference is located directly next to two sulfur atoms (#5 in the DOI you provided?)w. Might very well be due to the calculation method (even corrected) that you used. But that's just minor nibbling.

Altogether good layout. Nice!

Epoxide (data =100%, discussion = 100%)

Very detailed and very well done!

NMR (data = 100%, discussion = 100%)

good!

Rotations (data = 100% discussion = 100%)

good

TS (data = 95% discussion = 100%)

missing the enantiomeric excess for SS. other than that: well done!

QTAIM and NCI (data = 100%, discussion = 70%)

Excellent, I like the yellow labelling makes it very easy to distinguish!

You could have discussed QTAIM a bit qualitatively, mentioning e.g. the newly forming bonds.

Suggestion

Good content, good formatting, nice to read!