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in.simple_22Download
10x10_thinned.datDownload
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dc.contributor.authorBro-Jørgensen, William-
dc.date.accessioned2025-01-17T08:19:43Z-
dc.date.available2025-02-03T10:38:50Z-
dc.date.created2025-01-17T08:16:46.06061Z-
dc.date.issued2025-01-17T08:16:46.06061Z-
dc.identifier.urihttps://iochembd.chem.ku.dk/browse/handle/100/234-
dc.descriptionRun 22-
dc.publisherNiels Bohr Institute, University of Copenhagen-
dc.publisherDepartment of Chemistry and Nano-Science Center, University of Copenhagen-
dc.publisherDepartment of Chemistry, University of California Davis-
dc.rightsCC BY 4.0 (c) University of Copenhagen, 2025-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectMachine learning-
dc.subjectMolecular electronics-
dc.subjectMolecular dynamics-
dc.title/nep/1e-9 run_22-
dc.typedataset-
dc.date.updated2025-01-17T08:18:46Z-
cml.program.nameLAMMPSen
cml.program.version28 Mar 2023 - Developmenten
cml.formula.genericAu717en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:pulling_gold_junctions - DOI: 10.19061/iochem-bd-9-11



Please use this identifier to cite or link to this item: https://iochembd.chem.ku.dk/browse/handle/100/234

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