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  2. Institute of Chemical Research of Catalonia
  3. Molecular basis for the recognition of higher fullerenes into ureidopyrimidinonecyclotriveratrylene self-assembled capsules

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DC FieldValueLanguage
cml.program.nameADFen
cml.program.version2013en
cml.program.other01en
cml.methodBP86en
cml.basissetTZPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge0en
cml.formula.genericC48H54N12O12en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs5en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCOC1CC2CC3CC(OCCNC(O)NC4NC(C)CC(O)N4)C(CC3CC3CC(OCCNC(O)NC4NC(C)CC(O)N4)C(CC3CC2CC1OCCNC(O)NC1NC(C)CC(O)N1)OC)OCen
cml.formula.smilesCOC1CC2CC3CC(OCCNC(O)NC4NC(C)CC(O)N4)C(CC3CC3CC(OCCNC(O)NC4NC(C)CC(O)N4)C(CC3CC2CC1OCCNC(O)NC1NC(C)CC(O)N1)OC)OCen
dc.contributor.authorSerapian, Stefano-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-05-10T09:38:35Z-
dc.date.accessioned2019-05-04T09:36:12Z-
dc.date.available2016-05-10T09:38:35Z-
dc.date.available2019-05-04T09:36:12Z-
dc.date.created2016-05-10T11:38:33.67+02:00-
dc.date.issued2016-05-10T11:38:33.67+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/2049-
dc.descriptionC70_AASB_half1-
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/single_point_half_capsules C70_AASB_half1-
dc.date.updated2016-05-10T09:38:34Z-
Appears in Collections:Molecular basis for the recognition of higher fullerenes into ureidopyrimidinonecyclotriveratrylene self-assembled capsules

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higher_RBP86-D3BJ_TZP_COSMO_ener.run9.26 kBDownload
output.cml639.43 kBDownload
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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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Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/2049

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