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dc.contributor.authorOrtuño, Manuel-
dc.date.accessioned2018-02-20T10:08:06Z-
dc.date.available2018-03-15T20:30:52Z-
dc.date.created2018-02-20T11:08:04.636+01:00-
dc.date.issued2018-02-20T11:08:04.636+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8783-
dc.descriptionPhenanthroline-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-66-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleL1-
dc.typedataset-
dc.date.updated2018-02-20T10:08:06Z-
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyen
cml.shelltypeClosed shellen
cml.energy.value-154.03181633en
cml.energy.unitseVen
cml.formula.genericC12H8N2en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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