Talk:Grt07:breakyourself

Cp: Structures and energies good. Why is the endo-isomer kinetically preferred?

NAD: Good

Taxol: Your "up" isomer's energy is too low...hard to tell for sure without a JMol structure, but I think you've accidentally drawn the "trans" ring isomer

CCl2: Orbitals and vibrations good. Discussion of bond stretch vs reactivity a little confused - lower frequency doesn't necessarily mean more reactive - depends on the reaction!

Mini-project: Nice choice. Note that other stereoisomers are possible - you could form the cis-decalins (yours are both trans-decalins). It's odd that the two forcefields predict different relative stabilities for your two isomers - are there any obvious differences in the minimised structures? I have no idea why your 13C values are so far out - a pity! J values would definitely be a good way of telling the isomers apart. Your Table is a bit confusing as I don't know what the numbering system you've used is. It would have been good to expand the J-value analysis a bit more, and include pics to show the values. The IR and rotation would probably not be much use.

Overall good, but shame about the 13C!