Talk:Mod:1Caachatin211
1.1 Part 1 (44/45%)
1.1.1 Formation and Hydrogenation of Cyclopentadiene Dimer (10/10%)
- Good results & discussion about the kinetic control of the equilibrium (5/5%)
- Good results and very interesting discussion about the energies (5/5%)
1.1.2 Atropisomerism in an Intermediate related to the Synthesis of Taxol (10/10%)
- Well done finding all the conformations for each intermediate! (5/5%)
- Great job! Very nice discussion and you modeled the hydrogenated products! (5/5%)
1.1.3 Taxol NMR - Spectroscopic Simulation using Quantum Mechanics (24/25%)
- You found both conformation, good! And also, well done comparing both atropisomers, even though you were´t asked to do so. (5/5%)
- HNMR: Good job, but you could have added some statistical analysis comparing both the literature and calculated values, even though as you mention the assignment of the peaks is not very clear. (9/10%)
- CNMR: great job! (10/10%)
1.2 Part 2 (53/55%)
1.2.1 The Crystal Structures of the Shi Catalyst and the Jacobsen Catalyst (5/5%)
Great job, nice discussion!
1.2.2 The Calculated NMR Properties of the Epoxides (5/5%)
Good job and analysis! (5/5%)
1.2.3 The Assignment of the Absolute Configurations for Alkenes 2 and 4 (33/35%)
OR (13/15%)
OR: well done finding the literature values (5/5%)
Styrene oxide: good, even though there is a slightly difference in between the value of R and S (4/5%)
Tran Stilbene: in this case the value in between RR and SS is even more different… (4/5%)
Well done with the VCD showing that they are mirror images as you would expect.
Enantiomeric excess:
Well done, nice comparison and well expressed the results. Also you add a very interesting discussion. (20/20%)
1.2.4 NCI and QTAIM Analysis for the Transition State (6/6%)
Well done, very interesting discussion and nice way of present your discussion.
1.2.6 New Candidates (4/4%)
Good job!
General Comments:
From your mark, you can infer that you have done a great job, congratulations! You answered to everything you were asked and you include very interesting discussions.
Mark: 97%