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G4MP2-GDB9 Database
https://doi.org/10.18126/m23p9g
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Description
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An ASE database containing G4MP2 and B3LYP energies for GDB9 molecules.
Badri Narayanan
Paul Redfern
Logan Ward
Ben Blaiszik
Ian Foster
Rajeev S. Assary
Larry Curtiss
Rajeev Assary (assary@anl.gov)
Contact Person
Badri Narayanan
Contact Person
DOI registered
April 1, 2019
via DataCite
Dataset published 2019 in
Globus Services
Dataset