Hückel-Lewis configuration interaction
This notebook is used in the paper:
Automated Chemical Resonance Generation and Structure Filtration for Kinetic Modeling
Alon Grinberg Dana, Mengjie Liu, William H. Green
International Journal of Chemical Kinetics 51(10), 760-776, 2019
https://doi.org/10.1002/kin.21307
To use this notebook you should install Jupyter Notebooks via Anaconda (https://www.anaconda.com/download/), and install RMG (https://rmg.mit.edu/, https://github.com/ReactionMechanismGenerator/RMG-Py).
The notebook is coded in Python2