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xyz files of the QM9 molecules

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This zipped file contains the coordinates of the QM9_G4MP2 molecules as xyz files. This are optimized in B3LYP/6-31G(2df,p) level of theory.

This item is part of the collection MultiXC-QM9 with DOI: 10.11583/DTU.c.6185986


Battery Interface Genome - Materials Acceleration Platform

European Commission

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Novo Nordisk Foundation (SURE, NNF19OC0057822)


Related publications (DOI or link to DTU Orbit, DTU Findit)

ORCID for corresponding depositor

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