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ElliottKasoar
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ElliottKasoar
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Feb 4, 2026
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Summary
RDB7 reaction barrier dataset.
Spiekermann, K., Pattanaik, L. & Green, W.H.
High accuracy barrier heights, enthalpies,
and rate coefficients for chemical reactions.
Sci Data 9, 417 (2022)
https://doi.org/10.1038/s41597-022-01529-6
Linked issue
Resolves #
Progress
Testing
ORBMOL
New decorators/callbacks