QM Data for Delocalization Energy Parameterization of Conjugated Polymer Torsions

This Zenodo entry contains the QM data used to generate delocalization energy-based parameterization for a set of conjugated polymers. The extracted data can be found the in csv files. The .zip files contain all of the raw QChem outputs and other relevant data for posterity. This is intended as an initial upload in support of an upcoming publication, and will be updated with more data to enhance the ease of reproducibility of this study for future researchers and interested parties.