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dc.contributor.authorPhung, Quan-
dc.coverage.spatialSpain ES-
dc.date.accessioned2016-09-09T10:54:11Z-
dc.date.available2016-09-09T10:54:11Z-
dc.date.created2016-09-09T12:54:09.824+02:00-
dc.date.issued2016-09-09T12:54:09.824+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/15-
dc.descriptionCarolein geoopt with DFT-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleAcrolein-
dc.typedataset-
dc.date.updated2016-09-09T10:54:11Z-
cml.program.nameTURBOMOLEen
cml.program.version6.4en
cml.methodDFTen
cml.basissetdef2-TZVPen
cml.multiplicity1en
cml.charge0.000000en
cml.energy.value-191.8830116755en
cml.energy.unitsEhen
cml.formula.genericC 3 H 4 O 1en
cml.calculationtypeSingle point Excited stateen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/15

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