View source for Talk:Mod:ja2209module2

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'''

Excellent  discussion. An introduction to the optimisation process and the degenerate  vibration in BH3 with respect to IR spectra was expected.

'''comments TM'''

Excellent discussion covering  all the points

'''comments project'''

A good overall project. You have  put a lot of effort into getting the calculations right, however the use of  MP2 may have given you more chemical data. An excellent attempt at  interpretion of data, however your interpretation of the MOs and subsequent  NBO analysis indicate some misconceptions of the results presented.  Furthermore the presentation of your results is well structured, however you  should look at the number of decimal places used as well as the significance  of differences.