Talk:Mod:lg1109mod2

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

Very good discussion addressing most of the points required.You did not address the "what is a bond" assignement in the module. One comment I would make is you should include the references for any literature valuses quoted.

comments TM

Good attempt at this section although there is not a great deal of discussion. You have not commented on the relative stabilities of the isomers. Good layout

comments project

A very interesting project and a good attempt at interpreting your results. However, there is no nbo analysis nor is there a conclusion. Misconceptions are spotted in the interpretation of your MOs. The use of the LANL2DZ ECP is not suitable for the entire molecule and should only have been used for the Br atoms, all other atoms should have been treated with a full electron basis set. Due to the study focussing on small molecules you could have tried the MP2 method along with B3LYP.