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dc.contributor.authorPetrus, Enric-
dc.date.accessioned2018-07-22T07:25:13Z-
dc.date.available2020-01-14T14:00:24Z-
dc.date.created2018-07-22T09:25:12.509+02:00-
dc.date.issued2018-07-22T09:25:12.509+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/10123-
dc.description18A-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Second_Set/18A 18A-
dc.typedataset-
dc.date.updated2018-07-22T07:25:13Z-
cml.program.nameADFen
cml.program.version2016en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.formula.genericH6O7Uen
cml.calculationtypeGeometry optimization TSen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Master Thesis



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