Data for Reaction Exploration Reveals Strong Kinetic Filtering in Li-Ion Battery Electrolyte Degradation

<h4>All TSs and IRC trajectories are available. The compressed archive file, favorable.zip, includes all the reactions reported in "Reaction Exploration Reveals Strong Kinetic Filtering in Li-Ion Battery Electrolyte Degradation". The files in the favorable folder are named as X_Y-IRC...

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Bibliographic Details
Main Author: Hsuan-Hao Hsu (20926043) (author)
Other Authors: Brett M. Savoie (19791341) (author)
Published: 2025
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