Talk:Mod:NishMeisterG

“one is more kinetically stable” wrong term!
Correct energies for 1, 2, 3 and 4. But your energies cannot be accurate to the 4th digit after the dot.
Correct analysis of torsion and bend energy.
Hydrogenation is actually under kinetic control (irreversible!), so looking at the product as we did is the wrong approach. But that’s what we have to start with.

Correct energies all around.
Can’t seem to get the energies reported from the Jmol structures included for chair 9 and 10. Ask for chem3D files.
Correct analysis and reasonable explanation of hyperstable alkenes.

Reasonable MOs, but not perfect as they’re not close to symmetrical.
Good account for the reactivity using HOMO, and the s-p* interaction.
Wrong vibrational frequencies for monohydrogenated 12, and the analysis afterward
No analysis on bond lengths.

What’s the reason for the Me group?
Jmol of PM6 structure missing. Energies seem correct.
“the conformations of A and B are lower in energy, and are more reactive than A' and B'.” If A and B are lower in energy then they’re less reactive. Think of the population distribution!
Overall, you could have analyse much more the results, especially comparing the structure of A and C, B and D from PM6 calculation.

Not well defined question at all!
“However the energies are still very similar indicating that the reaction would yield both products.”, again you need to discuss the thermodynamics vs kinetics argument here. *Is the reaction reversible?
“The minimised energies for 11a and 12a, using Gaussian were -443147 kcal/mol and -443903 kcal/mol respectively.” Non-sensible numbers! We can only take the difference in energy here.
Correct focus on the C in the 4-member ring. But where is the experimental data?
Overall, you tried to do too much, and your data presentation did not help your case. Some discussion with us during the process would have helped.