Structural errors called 'structural demons' invalidate over half of top computational MOF screening candidates and can be reduced by keeping diffraction data with synthesis details and consistent curation.
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Hunting Structural Demons in Digital Reticular Chemistry: Lessons from Metal-Organic Frameworks
Structural errors called 'structural demons' invalidate over half of top computational MOF screening candidates and can be reduced by keeping diffraction data with synthesis details and consistent curation.