Talk:Mod:ZQHMod2

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 addressing most of the points required. You did not address the empty p-orbital on boron being described as a s-orbital in the NBO analysis (completely missed off). You also did not discuss "what a bond is"

comments TM

Good discussion addressing most of the points required. You were required to comment on the relative energies of the isomers. Please take more care over the number of decimal places you quote - frequencies are to the nearest whole number

comments project

The presentation of your results is good but there is no real discussion, no MOs are presesnted and there is no proper conclusion. The basis set selection (LANL2DZ) is poor as you should have used a full electron basis set for this project. MP2 calculations would have improved the project further.