Talk:Mod:SHMod1Lolcats

Cp: Structures 1 and 2 and their energies look good. What exactly are "secondary orbital interactions"? Why is the exo-isomer more stable? Unfortunately you haven't shown structures 3 and 4 or (more importantly) given their energies.

NAD: Unfortunately you haven't given the structures (ideally these would be (rotatable) JMols) so I can't see whether they look OK.

Taxol: Again, without structures, I can't check your results - and the energy difference you quote is way too high (I suspect one of your isomers has the 6-ring in a boat conformation)

CP: Although you have given the full IR spectra, these are not really helpful - you should have focused on the key bond stretches and explained why they differ between the isomers.

Mini-project: This looks like a nice choice of project EXCEPT that there is a methyl-bearing stereocentre on the 5-ring, which you have not defined - are the products of a single configuration at that centre? (If so, and the configuration is not known, that would have been an even nicer problem!) Although you have calculated the two 13C, and you say that there is a "better correlation to the down isomer", you have not provided any evidence for that (e.g. statistical analysis, or even listing of the lit values). What would be the best way to tell these isomers apart?

Overall a bit disappointing - in several places you haven't given your results (structure, energies) in the report, and key analysis is missing.