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Talk:Mod:smb59mod2

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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 of the points raised. Some introduction on the optimisation process and the need for vibrational calculations was expected. NBO analysis is also missing.


comments TM


Good discussion, reasons for using Cl, greater discussion on the relative stability of the isomers, basis-sets and comparisons to literature were expected.


comments project

A poor attempt all-round. The LANL2DZ does not include dAOs for metals and there is no justification of using this for all atoms. No MO or NBO analysis. Project submitted 3 days late.