Talk:Mod:shaneomar

Cp: Energies and structures good. Why is the endo-TS lower in energy?

NAD: Good

Taxol: Energy and structure for "down" isomer are good. For the "up" isomer, the energy is higher than expected, although it does look OK - maybe you have the "wrong" chair conformation of the 6-ring. Discussion good. Apart from angle strain, are there any other undesirable interactions in the hydrogenation products?

CCl2: Orbitals look good. Pity you couldn't get the vibrations...very odd!

Mini-project: Nice choice. Although it's good to see you've tried to compare the experimental and calculated data for each isomer, you should have compared them to each other to see whether the 13C could have been used to tell them apart with confidence! I agree that 1H J values might do the trick, although it would have been good for you to estimate them by modelling and compare to the experimental.

Overall good - shame about the missing vibration data.