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Manuscript title: Hidden Blue Emission in [60] Fullerene Stemming from Weak π–π Aggregation
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Masip, Albert | |
| dc.date.accessioned | 2025-07-27T11:37:32Z | - |
| dc.date.available | 2026-05-19T11:02:28Z | - |
| dc.date.created | 2025-07-27T13:37:28.390916+02:00 | |
| dc.date.issued | 2025-07-27T13:37:28.390916+02:00 | |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2730 | - |
| dc.description.abstract | S0 | |
| dc.publisher | Universitat Rovira i Virgili | |
| dc.relation | Original title: Hidden Blue Emission in [60] Fullerene Stemming from Weak π–π Aggregation DOI: 10.1016/j.carbon.2026.121649 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-84 | - |
| dc.relation.uri | http://dx.doi.org/10.1016/j.carbon.2026.121649 | * |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Density functional calculations | |
| dc.subject | Semiempirical calculations | |
| dc.subject | Cluster compounds | |
| dc.subject | Absorption | |
| dc.subject | Fullerenes | |
| dc.title | Ground-State | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevA.03 | |
| cml.method | UPBEPBE | |
| cml.basisset | DEF2SVP GEN | |
| cml.multiplicity | 1 | |
| cml.spintype | Unrestricted | |
| cml.shelltype | open | |
| cml.charge | 0 | |
| cml.energy.value | -9128.4946798 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C240 | |
| cml.calculationtype | Single point Structure | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Hidden Blue Emission in [60] Fullerene - DOI: 10.19061/iochem-bd-2-84 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2730
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