Talk:Mod:La409Mod2

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 discussion, an introduction to optimisation and vibrational analysis was expected. Discussion on IR spectra expected.

comments TM

Good discussion on the calculation setup. A discussion of the relative stabilites of the isomers and vibrational analysis was expected.

comments project

Overall an interesting project and a very good attempt. Good use of basis sets, the open-shell conventions available in Gaussiam and interpretation of your results. However there were several misconceptions regarding the MOs and NBO analysis. Further discussion of the MO and NBO results was lacking.