View source for Talk:Mod:f915a02f-4322-43c7-b0e1-c278a5663f7a

'''1.1 Part 1 (45/45%)'''

'''1.1.1 Formation and Hydrogenation of Cyclopentadiene Dimer (10+5 extra! 15/10%)'''

Great! You have done a lot of work which shows your motivation and interest in the subject. You deserve an extra 5% for this question!

'''1.1.2 Atropisomerism in an Intermediate related to the Synthesis of Taxol (10%)'''

Good results and well done finding both conformations for each atropoisomer!

Great discussion again!

'''1.1.3 Taxol NMR - Spectroscopic Simulation using Quantum Mechanics (21/25%)'''

The energy of your molecule is too high, you could have added a bit of discussion about it. The conformation of your molecule is correct.  (1/5%)

Well done with spectra and with the discussion and very clear and nice comparison with the literature.  (20/20%)

'''1.2 Part 2 (44/55%)'''

'''1.2.1 The Crystal Structures of the Shi Catalyst and the Jacobsen Catalyst (5%)'''

Good job! Very nice discussion. (5/5%)

'''1.2.2 The Calculated NMR Properties of the Epoxides (2/5%)'''

You only do the NMR for one of the catalysts and the agreement with the literature is quite poor…I am not sure you represented the molecule correctly. (2/5%)

'''1.2.3 The Assignment of the Absolute Configurations for Alkenes 2 and 4 (27/35%)'''

Again for the optical rotation you only show the calculated values for one of the epoxides. (7/15%)

Very good results and well done with the discussion and search in the literature (20/20%)

'''1.2.4 NCI Analysis for the Transition State (3/3%)'''

Nice discussion!

'''1.2.5 QTAIM Analysis for the First Transition State of RR Series of Shi Epoxidation (3/3%)'''

Again well done, nice discussion and comparison of both the techniques! 

'''1.2.6 New Candidates (4/4%)'''

Good! 

'''General Comments:''' Very good work, you have put a lot of effort and your discussion is great!

'''Total mark: 89%'''