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dc.contributor.authorPetrus, Enric-
dc.date.accessioned2018-07-22T07:26:49Z-
dc.date.available2020-01-14T14:00:16Z-
dc.date.created2018-07-22T09:26:48.367+02:00-
dc.date.issued2018-07-22T09:26:48.367+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/10179-
dc.descriptionWater-
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/G09/G09_P1/Water Water-
dc.typedataset-
dc.date.updated2018-07-22T07:26:49Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-76.4308447956en
cml.energy.unitsEhen
cml.formula.genericH2Oen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Master Thesis



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