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Manuscript title: Unusual C2h-Symmetric trans-1-(Bis-pyrrolidine)-tetra-malonate Hexa-Adducts of C60: The Unexpected Regio- and Stereocontrol Mediated by Malonate–Pyrrolidine Interaction
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Azmani, Khalid | - |
| dc.coverage.spatial | Catalonia Spain ES | - |
| dc.date.accessioned | 2017-06-16T10:30:36Z | - |
| dc.date.available | 2017-11-06T12:46:46Z | - |
| dc.date.created | 2017-06-16T12:30:34.334+02:00 | - |
| dc.date.issued | 2017-06-16T12:30:34.334+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/342 | - |
| dc.description | Optimized structure in o-DCB of Mono-(pyridyl-pyrrolidine) penta-adduct of C60 | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Unusual C2h-Symmetric trans-1-(Bis-pyrrolidine)-tetra-malonate Hexa-Adducts of C60: The Unexpected Regio- and Stereocontrol Mediated by Malonate–Pyrrolidine Interaction DOI: 10.1002/chem.201702866 Journal: Chem. Eur. J. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-18 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Fullerenes | - |
| dc.title | Mono-(pyridyl-pyrrolidine)_penta-adduct_of_C60 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-06-16T10:30:36Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2016 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -43.94516650 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C100H51N3O16 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 4 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Unusual_C2h-symmetric_trans-1-(bis-pyrrolidine)-tetra-malonate_h - DOI: 10.19061/iochem-bd-2-18 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/342
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