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FPT_Lopez.zipDownload
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Seminario_Lopez.zipDownload
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AlNb12_TZ_Q.inDownload
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dc.contributor.authorSegado, Mireia-
dc.date.accessioned2022-04-06T13:56:26Z-
dc.date.available2022-04-06T13:56:26Z-
dc.date.created2022-04-06T15:56:25.265+02:00-
dc.date.issued2022-04-06T15:56:25.265+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/39367-
dc.descriptionQmodel1-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-242-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Qmodel1 Qmodel1-
dc.typedataset-
dc.date.updated2022-04-06T13:56:26Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRBP86en
cml.basissetDEF2TZVPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-17en
cml.energy.value-3943.1579702en
cml.energy.unitsEhen
cml.formula.genericAlNb12O40en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:AlNb12 - DOI: 10.19061/iochem-bd-1-242



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