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README.md

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@@ -9,7 +9,7 @@ AARON is a computational toolkit to automate the QM-based geometry optimization
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AARON does not implement new electronic structure methods or geometry optimization algorithms. Instead, it is essentially an interface to Gaussian (G09 or G16) that automates computations. Briefly, given a set of TS and intermediate geometries for a given catalytic reaction, AARON can automatically compute analogous structures for similar catalysts/ligands and substrates. In this way, users can screen potential catalysts and substrates for a given reaction by predicting the activity and selectivity of a given catalyst/substrate combination.
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# TS Library
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## TS Library
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Information about the TS library packaged with AARON is available <a href="http://qchasm.wheelergroupresearch.com/Aaron/ts_library.php">here</a>.
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## Citation

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