Subject: predicting circular dichroism spectra

From: avw1557-.at.-ksu.edu
Date: Tue, 26 Oct 2004 19:59:56 -0500

Hello all,

I have recently begun working with salen type compounds and would like
to run calculations to predict UV/CD spectra to compare to the
experimental data.  Does anyone have experience with commercially
available software (e.g. gaussian 03) and could recommend a good
software package to use, and if possible what would be the best
software package to use.  We are looking to purchase one.

Thanks

Alex Wiznycia
Department of Chemistry
Kansas State University
111 Willard Hall
Manhattan KS 66506-3701
email : avw1557-.at.-ksu.edu