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Next: Project 1: Molecular Properties Up: No Title Previous: Brief Lab Overview

Literature Review

Before beginning Project 1 (below), go to the library and try to find as much experimental data as you can for the molecular properties you'll be computing for the molecule of your choice. Note that the calculations will yield absolute enthalpies Ho(298K), which you probably will not be able to find (you'll find $\Delta H^o_f$(298K), which depends on the standard chosen for the formation reaction). Hence, don't bother trying to compare to experimental enthalpies or Gibbs free energies of formation, since that isn't what's computed. Please make photocopies of the relevant experimental data and bring it to Prof. Sherrill for approval before launching into the calculations. This will probably take the whole first lab period.

C. David Sherrill