Next: Project 1: Molecular Properties
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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
(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
2000-07-21