ioChem-BD Browse module - Item page
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Referenced by:
Manuscript title: Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self-Assembled Capsules
Journal: Chem. Eur. J.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Serapian, Stefano | - |
dc.date.accessioned | 2016-05-10T09:39:26Z | - |
dc.date.available | 2016-05-10T09:39:26Z | - |
dc.date.created | 2016-05-10T11:39:24.607+02:00 | - |
dc.date.issued | 2016-05-10T11:39:24.607+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/702 | - |
dc.description | C84_AASB | - |
dc.relation | Original 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.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-7 | - |
dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /full_capsule_optimisations C84_AASB | - |
dc.date.updated | 2016-05-10T09:39:26Z | - |
cml.program.name | ADF | en |
cml.program.version | 2013 | en |
cml.program.other | 01 | en |
cml.method | DFT | en |
cml.basisset | TZP | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.charge | 0 | en |
cml.energy.value | -86.93607309 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C180H108N24O24 | en |
cml.calculationtype | Geometry optimization | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 5 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Molecular basis for the recognition of higher fullerenes into ureidopyrimidinonecyclotriveratrylene self-assembled capsules - DOI: 10.19061/iochem-bd-1-7 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/702