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Manuscript title: Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self-Assembled Capsules

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201601690

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DC FieldValueLanguage
dc.contributor.authorSerapian, Stefano-
dc.date.accessioned2016-05-10T09:39:07Z-
dc.date.available2016-05-10T09:39:07Z-
dc.date.created2016-05-10T11:39:05.765+02:00-
dc.date.issued2016-05-10T11:39:05.765+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/694-
dc.descriptionC78_SBSB-
dc.relationOriginal title: Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self-Assembled Capsules DOI: 10.1002/chem.201601690 Journal: Chem. Eur. J.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-7-
dc.rightshttp://creativecommons.org/licenses/by/4.0/-
dc.title/full_capsule_optimisations C78_SBSB-
dc.date.updated2016-05-10T09:39:07Z-
cml.program.nameADFen
cml.program.version2013en
cml.program.other01en
cml.methodDFTen
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.energy.value-84.93316237en
cml.energy.unitsEhen
cml.formula.genericC174H108N24O24en
cml.calculationtypeGeometry optimizationen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs5en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Molecular basis for the recognition of higher fullerenes into ureidopyrimidinonecyclotriveratrylene self-assembled capsules



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