Supporting dataset for "Mechanochemical Oxygen Release from Anthracene Endoperoxides Using Force-Dependent Barrier Analysis"
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This dataset accompanies the manuscript "Mechanochemical Oxygen Release from Anthracene Endoperoxides Using Force-Dependent Barrier Analysis". The dataset contains: 1S-CoGEF trajectories corresponding to Figure 2. NEB trajectories corresponding to Figure 3. 3S-CoGEF trajectories corresponding to Figure 4. Force-dependent activation barrier data corresponding to Figure 5. Computational methods are described in the accompanying manuscript.
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Zenodo创建时间：
2026-08-04
