Talk:Mod:lx921011
Comments
Cyclopentadiene
nicely written. maybe just include one angle in the text (but that's a minor thing really)
Taxol
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
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
Very detailed and very well done!
NMR
good!
Rotations
good
TS
missing the enantiomeric excess for SS. other than that: well done!
QTAIM and NCI
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!