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dc.contributor.authorArtigas, Albert-
dc.coverage.spatialES Girona-
dc.date.accessioned2020-10-22T12:21:38Z-
dc.date.available2021-06-18T12:26:27Z-
dc.date.created2020-10-22T14:21:36.769+02:00-
dc.date.issued2020-10-22T14:21:36.769+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/1551-
dc.descriptionTS_C60-
dc.publisherUniversitat de Girona (UdG)-
dc.publisherInstitut de Química Computacional i Catàlisi (IQCC)-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-24-
dc.rightsCC BY 4.0 (c) UdG, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectFullerenes-
dc.subjectAllenes-
dc.subjectCycloaddition-
dc.subjectHomogeneous catalysis-
dc.titleTS_C60-
dc.typedataset-
dc.date.updated2020-10-22T12:21:38Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevE.01en
cml.methodRM062Xen
cml.basissetCC-PVTZen
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.energy.value-3471.279508en
cml.energy.unitsEhen
cml.formula.genericC75H17NO2Sen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:BISALLENE_FULLERENES - DOI: 10.19061/iochem-bd-4-24



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/1551

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