Talk:Mod:NightAngel

1.2.1 Cp dimers: Good to see you’re investigating the literature. Would have been nice to see some quantitative data put to the levels of strain in each alkene.

1.2.2 NAD: Excellent and well presented analysis. Any thoughts on the use of PM6/MOPAC rather than simply MM2?

1.2.3 Taxol: Excellent discussion.

1.3.1 Carbene: Your molecule has a plane of symmetry yet your orbitals are not symmetrical. This is something I would have expected you to pick up on. The problem is caused by a bug in MOPAC PM6. Moral of the story: question the results the computer gives you, learn to identify these errors and how cope with them. Good discussion.

Mini-project: What an introduction, I see a Nobel prize on the horizon already . . . Your predictions seem pretty good. However, a visual representation of your results would have been a far more striking way to highlight the accuracy of your results (ie a bar chart of the deviations in your results). I don’t really need to see the IR spectra, the table itself would have been fine.

Overall: Great to see consistent references to the literature. And at last, someone referring to the as taxol intermediates as intermediates and not just taxol itself . . . A very thorough mini-project too. Excellent work.