Talk:Mod:fkl114318
Comments
Cyclopentadiene
Great intro and discussion of cpd.
Values are all correct.
Very good figures in hydrogenation :)Need more discussion of bond angles here though - this is a key difference.
Taxol
There is a lot more information that could have been included here. The cyclohexane ring leads to chair and boat conformers, which would show the lowest energy.
What about modelling the parent hydrocarbons? This would have shown you where the energy differences come from.
NMR
Missing any discussion of why the values don't correlate. What effect do the sulfur atoms have?
You were told to use what you have previous learnt to model one!
Epoxide
Crystal structure
Great, lots of good information.
NMR
You have calculated the NMR but not made any comparisons or drawn any conclusions!
Rotations
Nice layout and discussion
You have included the VCD but not mentioned it or drawn any conclusions?
TS
Great TS analysis, well done!
QTAIM and NCI
NCI needs more discussion. There's a lot of information shown you can talk about!
Good QTAIM.
Suggestion
None!