Talk:Mod:jb4109(2)

Brief feedback on your wiki, all students are welcome to contact me for more detailed feedback. Your grade will be returned to blackboard.

comments BX3

Good attempt at this section however you did not address all the points required. There was little discussion on population analysis. Graphics for the frequencies were missing.

comments TM

You have addressed all the points outlined in the module instructions. More analysis, ouputs from jobs and graphics are missing.

comments project

Potentially a very interesting project. Good choice of basis set and good analysis of the optimisation. However, the discussion on the vibrational, MO and NBO analyses is poor. And the overall conclusions are neither suitable nor can they be inferred from the data presented. Higher level calculations may have given better results.