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Compound5_1Li.comDownload
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dc.contributor.authormontilla, marc-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-02-09T09:17:39Z-
dc.date.available2023-02-09T09:17:39Z-
dc.date.created2023-02-09T10:17:36.447+01:00-
dc.date.issued2023-02-09T10:17:36.447+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/4160-
dc.descriptionCompound 5, considering 1 Lithium cation.-
dc.publisherUdG-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-52-
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleCompound5_1Li-
dc.typedataset-
dc.date.updated2023-02-09T09:17:39Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevB.01en
cml.methodRB3LYPen
cml.basissetDEF2SVPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-3866.97828165en
cml.energy.unitsEhen
cml.formula.genericC60H76ClLiN4Tien
cml.calculationtypeSingle point Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Titanium_PDA - DOI: 10.19061/iochem-bd-4-52



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/4160

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