CHEM 4681: Electronic Structure of Small Molecules


This is a laboratory module for the Senior Lab. Students will carry out ab initio electronic structure computations on small molecules and prepare Walsh diagrams.


See Instructions Handout Below.


Handout Download
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Background HTML Background PDF Background

Required Reading

  1. Handout on Background Information
  2. Handout from G. Herzberg, Molecular Spectra and Molecular Structure. III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, Reprint ed. (Krieger, Malabar, FL, 1991). Pages 316-321 (Walsh diagrams).


See Background Handout Above.

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