Talk:Mod:ac4610b

Cpd dimers: Your energies are good but your explanation of thermo vs. kinetic control, while correct, could be a little clearer. Good to see you relating energetic terms to structural differences.

Taxol: The geometry of your alkene is incorrect! However, it is good to see that you were investigating the geometry of the six membered ring. Looks like you’re missing an energy diagram. Good to see you’re also investigating MMFF94.

Carbene: Nicely done.

Glycosidation: Although it’s nice to see curly arrow diagrams be very careful! You are missing arrows for the electrons pushing into the oxenium! Good attempt at these energies. I like the distance analysis you’ve performed, another aspect to consider is the direction of approach; can you remember Burgi-Dunitz angles? Good to see that you’re considering differences between MM2 and MOPAC.

Taxol Take 2: You’ve got the correct alkene geometry now. Nice analysis.1

Mini-project: Nice choice of molecule. Also, a very thorough and well-presented analysis. Without a diagram, I don’t know which atoms C4 and 7 are. Nice to see you thinking experimentally as well as considering the use of higher basis sets. I imagine, in real life, you would do some 2D NMR to distinguish between these, have you heard of an NOE or NOESY experiment?

Overall: It’s very good to see you introducing each section and trying to make everything relevant. Overall, a lot of work has gone into what is an excellent project, well done.