Skip to content
Steven E. Wheeler edited this page Sep 5, 2018 · 31 revisions

AARON is a toolkit written using AaronTools for automating the geometry optimization of TS structures for organic and organometallic reactions using Gaussian (G09 or G16).

Note: There are still some bugs with AARON and AaronTools that we are working on. If you notice any abnormal behavior, please contact us at catalysttrends@uga.edu.

The tutorials below will walk you through setting up AARON as well as routine tasks.

Information on AaronTools and the corresponding Ligand and Substituent libraries is available here

Information on the TS Template library is available here

If you need help or have questions/comments about either AaronTools or AARON, please contact us at catalysttrends@uga.edu

Tutorials (some still under construction!)

You can’t perform that action at this time.