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Talk:Mod:tmlkmcd

From ChemWiki

Intro: you seem to be referring to molecular mechanics, not molecular modelling - the latter does include e.g. ab initio calculations!

Cp: Energies and structures look good. Your explanation for the exo-selectivity is not that clear (what's the "sterically unfavourable overlap"?) What causes the bending strain in 3?

NAD: Good

Taxol: Structures look good. Why is the energy for 10 different in the two tables? What kind of strain is there in the saturated system?

CCl2: Good

Mini-project: Interesting choice. How did they tell them apart in the lit? Apart from X-ray, any other ideas? Would be interesting to model the TSs to try to explain why the "endo" isomer is favoured.

Overall - generally good discussion, and well presented