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Talk:Mod:JakeHooton Experiment1C

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Cyclopentadiene

Adiagram illustrating kinetic control helps here. "(Analyse with MM description? Bond length description etc? vdw dispersion good or bad?" Did you forget to do this? Good results

Taxol

Fairly anecdotal style "Following this, I realised that there could equally possibly be other conformers, with the six membered-ring sitting in the opposite chair conformation.". Could you try to edit what you actually did into something like eg a scientific paper, and not a diary.

Good results.

Discussion of hyperstable alkenes?

NMR

Please number your tables (for example the one labelled "caption"). This is much better presented as differences between calc and obs, not absolute values. Some sort of statistical analysis will help here instead of " the calculated and experimental NMR shifts match up well. ".

Epoxides

Not sure why you start off with mechanics energies for C? You should NOT routinely report every single number you get. Nothing much is to be learnt from these mechanics energies, so do not report them! Less is almost always more. Learn to discriminate between important results and unimportant ones.

X-ray

Your diagram has lots of bond lengths, are they all necessary? When you write "because overlap with with the equatorial lone pair on the oxygen in the six membered ring is worse." again can you quantify how much worse? By 20 degrees? You have not really discussed why some pairs of O-C-O bonds are unequal, others are equal. This is the core of the analysis that you need to tease out.

For the Jacobsen, you say 2.7A is attractive. You could for example include a digram illustrating the potetial energy surface in this region (as shown in last years lecture notes).

Rotations

You have not included any discussion?

Transition states

Lots of animations, which must have taken you a little time. But why were they included? What do they show? The task, which you completed, is to analyse the energies and not vibrations.

NCI

Good discussion here, you obviously thought about it a great deal.

QTAIM and suggestion

Out of time!

Overall

Less is more. Learn to identify the key questions to be answered, and avoid doing things that do not help understand the questions.