Talk:Mod:GD409 module2

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 covering all of the points

comments TM

Good presentation of the results and an excellent discussion covering all the points.

comments project

A good comparison of the use of a full electron basis set vs a pseudo-potential. The use of higher-level method, ie MP2 may have proved useful. There is good interpretation of your results however clear mis-conceptions are observed and a more complete analysis of the MO's along with an analysis of the NBO results would have been good.