Talk:Mod2GL1990

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 convering all relevant points.

comments TM

Again, very good discussion addressing most of the points required. You were required to comment on the relative energies of the isomers.

comments project

A very interesting project and a really good attempt at interpreting your results.The use of the LANL2DZ ECP is not suitable for the entire molecule and should only have been used for the Br atoms. Misconceptions are spotted in the interpretation of your nbo and MO analyses. Due to the study focussing on small molecules you could have tried the MP2 method along with B3LYP to obtain the complete picture.