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Talk:Mod:js71ckl10

From ChemWiki

Cpd dimers: Well written and nice discussion.

Taxol: Unfortunately, the geometry of your alkene for 9 is incorrect, leading to an incorrect structure and incorrect energies! However, 10 is correct. Nice to see you realising the importance of the 6-membered ring and investigating different conformers. What aromatic ring though?

Carbene: You’re almost there, can you maybe think why one alkene is more electron rich than the other and what the differences between MM2 and MOPAC are that are causing the difference in results?

Glycosidation: So, why do MM2 and MOPAC differ here? What, in terms of boundaries, can molecules do under MOPAC that they cannot do under mechanics? Well done modelling all these compounds though.

Taxol Take 2: A more in-depth analysis would have been welcome.

Mini-project: It would have been good if you could have given a brief introduction to the paper you had found these molecules in. Nice to see you investigating additional conformers. I wouldn’t say all the calculated values agree well, some of them are way off (86.6 to 105.4, is that a good agreement?). Good to see you investigating IR, CD, 1H NMR etc. You have a nice breadth in your results but are a little lacking in analysis. So, as a summary, can we tell the difference between the isomers and what technique would be the best?

Overall: Well written with clearly presented data. Some more in-depth analysis would have been good in some places, however. Overall, a good attempt.