DOE OSTI · 3376250
Thermokinetic Dataset for "A Multi-Scale Computational Framework Predicting Frontal Ring-Opening Metathesis Polymerization from Monomer Structure"
Abstract
This dataset includes the vibrational frequencies, total energies, and XYZ structures of all species used in this work.
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Chua, Lauren [Massachusetts Institute of Technology] (ORCID:0000000180652989), Singhal, Avni [Massachusetts Institute of Technology] (ORCID:0000000339496771), Gomez-Bombarelli, Rafael [Massachusetts Institute of Technology] (ORCID:0000000294958599). 2026-01-01. Thermokinetic Dataset for "A Multi-Scale Computational Framework Predicting Frontal Ring-Opening Metathesis Polymerization from Monomer Structure". https://doi.org/10.5281/zenodo.19672701
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