Talk:Mod:CEDRIC7
1.1 Part 1 (45/45%)
1.1.1 Formation and Hydrogenation of Cyclopentadiene Dimer (10/10%)
Great results, very good energies! And nice discussion.
1.1.2 Atropisomerism in an Intermediate related to the Synthesis of Taxol (10/10%)
Again good results and discussion.
1.1.3 Taxol NMR - Spectroscopic Simulation using Quantum Mechanics (25/25%)
Good job! Great energies, well done adding literature and discussing the differences in the energies in between both compounds. (5/5%)
Regarding the NMR, good results, but you could have added a representation of the molecule indicating the assignment of the peaks. Anyways, good results and well done with the discussion about caron atom 12 (20/20%)
1.2 Part 2 (50/55%)
1.2.1 The Crystal Structures of the Shi Catalyst and the Jacobsen Catalyst (4%)
Well done finding the structures, but you could have included a representation of each in you report as well. (5/5%)
1.2.2 The Calculated NMR Properties of the Epoxides (5/5%)
Good and good agreement with literature values, well done!
1.2.3 The Assignment of the Absolute Configurations for Alkenes 2 and 4 (30/35%)
Very good! And good agreement with the literature values (15/15%)
Good results and discussion about the Shi catalyst and the Jacobsen , but a search in the literature and comparison with your results is missing (15/10%)
1.2.4 NCI Analysis for the Transition State (3/3%)
Well done and interesting discussion.
1.2.5 QTAIM Analysis for the First Transition State of RR Series of Shi Epoxidation (3/3%)
Well done.
1.2.6 New Candidates (4/4%)
Nice!
General Comments: So far the best report I have seen, great results and discussion, congratulations!
Total Mark: 95%