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Delta8_THC_Ag_Iso1_11.inpDownload
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dc.contributor.authorIeritano, Christian-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2023-03-15T16:44:58Z-
dc.date.available2023-03-15T16:44:58Z-
dc.date.created2023-03-15T17:44:56.301+01:00-
dc.date.issued2023-03-15T17:44:56.301+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/280936-
dc.descriptionOptFreq-
dc.publisherUniversity of Waterloo-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-225-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectsilver-
dc.subjectTHC-
dc.subjectcannabinoid-
dc.titleDelta8_THC_Ag_Iso1_11-
dc.typedataset-
dc.date.updated2023-03-15T16:44:58Z-
cml.program.nameOrcaen
cml.program.version5.0.2en
cml.program.otherRELEASEen
cml.basissetdef2-TZVPPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge1en
cml.energy.value-1115.66548789en
cml.energy.unitsEhen
cml.formula.genericC21H30O2Agen
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:THC_Separation - DOI: 10.19061/iochem-bd-6-225



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/280936

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