To be eligible to choose a project you MUST show Prof. Hunt your completed part 1 wiki on Thursday.
Your project ideas must be discussed with Pof. Hunt and they must be authorised (a record will be kept).
Here are some guidelines for selecting a project. These requirements are for your own benefit, they will save you from starting something too complex for you, or too large for the time available.
Important Some key instructions!
if a job has not converged in 50 steps you MUST get a deomonstrator or lecturer to look at it.
for every molecule studied provide a link to the frequency file (NOT the optimisation). Provide the "summary", the "Item" table, the "low frequencies" lines and show that there are no negative frequencies.
use your data! at least 50% of the project should be centered around interpretation, compare and analyse your data, can you find a justification or interpreation for trends? Are you able to rationalize, using this information, some key property or chemistry of the compound?
time management is key, the calculations are quick, analysis is much slower
simply reporting your results will only gain you a maximum of 50% of the mark for the project
follow as similar pattern of steps from the revision material, the instructions for the mini projects are less developed, because you are now expected to know the processes and you are expected to work with more independence.
