View source for Talk:Mod:TheRealSLimShady


'''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.  Just a minor point - please take more care over the number of decimal places you quote - frequencies are to the nearest whole number.


'''comments TM'''

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



'''comments project'''

Interesting project. Good selection of pseudo-potential and basis set combination. Good presentation and interpretation of your results, especially MOs and NBOs even though several misconceptions about these results are present.  Misconceptions about the meaning of the RMS and forces in geometry optimisation and there is no real conclusion at the end of the discussion.