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Supporting Information for the Journal Article "The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms"

<p>This dataset contains the supporting information published together with the article &quot;The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms&quot; (<a href="https://doi.org/10.1039/C9FD00061E"><em>Faraday Discuss.</em>, <strong>2019</strong>, <em>220</em>, 443</a>).</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4