Radical Stability Score
This is a script to calculate Radical Stability Score for Quantum Chemistry output files. This is implemented using cclib, an hence output file supoorted by cllib can be used to calculate Radical Stability Score.
An example of how to run it is shown below are:
python -m RSS --files *.log --output test --type 'mulliken'
dbstep
cclib
pandas
numpy
git clone https://github.com/patonlab/RSS.git
python setup.py install
RSS is freely available under an MIT License
S. V., S. S.; Shree.; St. John, P. C.; Paton, R. S. A quantitative metric for organic radical stability and persistence using thermodynamic and kinetic features Chem. Sci., 2021,12, 13158-13166
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