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dc.contributor.authorGaggioli, Carlo Alberto-
dc.coverage.spatialSpain ES-
dc.date.accessioned2016-09-09T10:40:13Z-
dc.date.available2016-09-09T10:40:13Z-
dc.date.created2016-09-09T12:40:11.661+02:00-
dc.date.issued2016-09-09T12:40:11.661+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/7-
dc.descriptionamazing-
dc.publisheruniveristy of Perugia-
dc.rightsCC BY 4.0 (c) UdG, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlequan1-
dc.typedataset-
dc.date.updated2016-09-09T10:40:13Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-499.814153210en
cml.energy.unitsEhen
cml.formula.genericC 7 H 12 O 3en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
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