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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Mar 2 2016 16:13:58) complexen
cml.shelltypeClosed shellen
cml.energy.value-320.86208062en
cml.energy.unitseVen
cml.formula.genericC2H8Au81N2en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
dc.contributor.authorShahrokhi, Masoud-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-10-09T14:19:33Z-
dc.date.accessioned2019-05-04T12:09:57Z-
dc.date.available2017-10-09T14:19:33Z-
dc.date.available2019-05-04T12:09:57Z-
dc.date.created2017-10-09T16:19:32.121+02:00-
dc.date.issued2017-10-09T16:19:32.121+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/7118-
dc.descriptionoptimization of ethylenediamine ligand on Au(110) surface-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-49-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleethylenediamine-on-Au(110)-
dc.typedataset-
dc.date.updated2017-10-09T14:19:33Z-
Appears in Collections:Shape_control_in_gold_nanoparticles_by_N-containing_ligands

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