Talk:Jc1506:copley01

Intro: Missing! CPD: Good discussion of why endo forms. Good results

Prolinol. Not quite sure what you have done here? The lowest energy conformation has the carbonyl pointing "up" by 42 degrees; you quote 20-35? A bit vague that? You do publish coordinates for a possible transition state, where I find some very strange things going on in the ether oxygen region? MM2 as you point out is no good for transition states, but Quantum mechanics certainly is, and you could try revisiting this in module 3 if you wish. The coordinates for 5 indicate you have a slightly high energy conformation (one about 1 kcal lower can also be found). Likewise 6 seems about 2 kcal too high for the isomer you do report an energy for, although in fact I think you down isomer is almost certainly the lower. So some slightly confused presentations here.

Taxol. Good results here. I like the bit about homoaromaticity! Never seen that particular suggestion before!

peptide. all four energies are a bit high Looking at the geometries suggests that in all four, better hydrogen bonds could be set up, which will certainly lower the energies! Discussion a bit thin.

Carbene. Good orbitals. Good vibrational results, but again discussion a tad thin.

Project. Nice choice! Where you write "the calculated spectrum seems to be a fairly good fit" I looked for some statistical analysis of this assertion. You could record the difference between calc and expt for each peak (using your own assignments). Nice example of calculating ORs! One of the best I have seen!

your results were uniformly good, and a little more discussion would have made the report exceedingly good.