Talk:Mod:slippynipps2

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 on the optimisation process and the reason for a larger basis-set for TiBr3 was expected

comments TM

Good discussion. More details on the extra-basis used and relative stabilites of the isomers was expected.

comments project

Overall a good attempt. However the use of the LANL2DZ pseudo-potential which does include dAOs for metals is not justified for use with all atoms and you could have attempted the use of a full electron/pseudo-potential combination. The MO or NBO analysis was good, further analysis and detailed discussion are lacking.