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The database could contain
for each surface, like
These could be extracted from SUNCAT, or calculated by us from scratch (more consistent).
The choice of metal in the SMILES strings could be updated to match (see #53)
The text was updated successfully, but these errors were encountered:
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The database could contain
for each surface, like
These could be extracted from SUNCAT, or calculated by us from scratch (more consistent).
The choice of metal in the SMILES strings could be updated to match (see #53)
The text was updated successfully, but these errors were encountered: