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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: We are still fixing some bugs and working on the documentation, so we ask that people delay downloading Aaron and AaronTools until we have finalized this work. Hopefully this will occur by mid-August.

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 [email protected]

Tutorials (most still under construction!)

• Getting Started with AARON
• Introduction to AARON: Screening Ligands
• Using Screen
• Introduction to AARON: Screening Substrates
• Transition Metal Catalyzed Reaction
• Building a TS Library
• Multi-step Reactions