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Manuscript title: Exciton Delocalization and Triplet Diffusion in Singlet Fission Materials: A Many-Electron Tight-Binding and Non-Orthogonal CI Study
Journal: J. Phys. Chem. C
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ionut Octavian, Stan | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2024-11-26T12:08:11Z | - |
| dc.date.available | 2025-02-06T09:54:41Z | - |
| dc.date.created | 2024-11-26T13:08:10.628421+01:00 | - |
| dc.date.issued | 2024-11-26T13:08:10.628421+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2060 | - |
| dc.description | The 15-stack of ethenes disordered | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Exciton Delocalization and Triplet Diffusion in Singlet Fission Materials: A Many-Electron Tight-Binding and Non-Orthogonal CI Study DOI: 10.1021/acs.jpcc.4c08037 Journal: J. Phys. Chem. C | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.jpcc.4c08037 | * |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Ethene Ethene_Stack_Disordered | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-11-26T12:08:11Z | - |
| cml.program.name | GronOR | en |
| cml.program.version | 23.00 | en |
| cml.program.other | under active development | en |
| cml.method | NOCI-Fragments | en |
| cml.multiplicity | 1 | en |
| cml.spintype | restricted | en |
| cml.charge | 0.0000 | en |
| cml.energy.value | -1170.49659455 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C30H60 | en |
| cml.calculationtype | NOCI | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | METB_Paper - DOI: 10.19061/iochem-bd-2-75 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2060
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