Subject: Summary: Prediction of UV absorbance

From: [email-masked]
Date: Wed, 21 Mar 2001 14:16:21 -0500

Thanks for the many responses, the following are available for UV prediction.

gaussian98 a.7 for TDHF(or RPA), CIS, TDDFT and ZINDO
hyperchem for ZINDO and other semiempirical methods
mopac2000 for inclusion of MOS-F (semiempirical methods)
...

I have since tried ZINDO (Cerius2), and it works quite well.