Access to this dataset is subject to the following terms:
If you use this dataset please add this citation to your publication:
Narayanan, Badri; Redfern, Paul; Ward, Logan; Blaiszik, Ben; Foster, Ian; Assary, Rajeev S.; Curtiss, Larry, "G4MP2-GDB9 Database," 2019, http://dx.doi.org/doi:10.18126/M23P9G
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNarayanan, Badri-
dc.contributor.authorRedfern, Paul-
dc.contributor.authorWard, Logan-
dc.contributor.authorBlaiszik, Ben-
dc.contributor.authorFoster, Ian-
dc.contributor.authorAssary, Rajeev S.-
dc.contributor.authorCurtiss, Larry-
dc.date.accessioned2019-04-01T16:20:54Z-
dc.date.available2019-04-01T16:20:54Z-
dc.date.issued2019-03-29-
dc.identifier.urihttp://dx.doi.org/doi:10.18126/M23P9G-
dc.publisherMaterials Data Facilityen_US
dc.subjectGDB9en_US
dc.subjectmoleculesen_US
dc.subjectenergyen_US
dc.titleG4MP2-GDB9 Databaseen_US
globus.shared_endpoint.name82f1b5c6-6e9b-11e5-ba47-22000b92c6ec-
globus.shared_endpoint.path/published/publication_1335/-
datacite.creator.affiliationArgonne National Laboratoryen_US
datacite.creator.affiliationUniversity of Chicagoen_US
datacite.creator.affiliationUniversity of Louisvilleen_US
datacite.contributor.ContactPersonRajeev Assary (assary@anl.gov)en_US
datacite.contributor.ContactPersonBadri Narayananen_US
mdf-base.data_acquisition_methodsimulationen_US
mdf-base.data_acquisition_locationArgonne National Laboratoryen_US
mdf-base.data_acquisition_locationArgonne Leadership Computing Facilityen_US
mdf-base.primary_productdatabaseen_US
mdf-base.data_encodingASE databaseen_US
mdf-base.descriptionAn ASE database containing G4MP2 and B3LYP energies for GDB9 molecules.en_US
Appears in Collections:MDF Open



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