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Manuscript title: Exohedral Diels-Alder Reactivity of Endohedral Metallofullerene C36
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Santha Bhaskaran, Athul | - |
| dc.date.accessioned | 2024-04-21T23:10:14Z | - |
| dc.date.available | 2024-11-23T20:04:14Z | - |
| dc.date.created | 2024-04-22T01:10:13.447+02:00 | - |
| dc.date.issued | 2024-04-22T01:10:13.447+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu/browse/handle/100/5666 | - |
| dc.description | opt_frq-rev-frq-ts-6-5-2p-Fe-0-5_0_5.1229430.out | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: Exohedral Diels-Alder Reactivity of Endohedral Metallofullerene C36 DOI: 10.1002/chem.202401568 Journal: Chem. Eur. J. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-72 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202401568 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /FeS2 rev-frq-ts-6-5-Gp-Fe_0_5 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-04-21T23:10:14Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 304 | en |
| cml.method | S12g-x PBEc | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 5 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C40H6Fe | en |
| cml.calculationtype | Single point Quild | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | MatC36 - DOI: 10.19061/iochem-bd-4-72 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5666
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