Talk:Mod.timarbab
comments
Try to put your authorship at the top of the document, as with any published paper.
A general, short, intro setting out the objectives, is nice
Cyclopentadiene
Good results. A little elaboration of the differences between kinetic and thermodynamic control, but otherwise a good discussion.
Pyridinium rings
Part one, reasnable result, but did you explore the bug that the script mentions, and how it might impact on your results? You should note that the effect in the first system is attraction between the Mg and the carbonly, but repulsion in the second molecule between lone pairs.
Taxol
Molecule 9, your rhs ring is twist boat. Chair is better, which you get in 10. You test for hyperstabiity, but you assume the energy of H2 in your conclusion? Remember, its not thermodynamic energy (in which case it would indeed be zero!)
Dichlorocarbene reaction
Orbitals. Some are nice and symmetric (about the plane of symmetry) but some are not, eg HOMO and HOMO-1. This, unfortuantely is another program bug, but you should recognise it, and devise a test for checking it (in this case, use Gaussian, not MOPAC).