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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Apaloo-Messan, Edmond | |
| dc.date.accessioned | 2026-09-15T13:29:34Z | - |
| dc.date.available | 2026-09-15T15:28:53.866559+02:00 | |
| dc.date.available | 2026-09-15T13:29:34Z | - |
| dc.date.created | 2026-09-15T15:28:53.866559+02:00 | |
| dc.date.issued | 2026-09-15T15:28:53.866559+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/121351 | - |
| dc.description.abstract | re-bpy-co3-cl-1e_eq | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-437 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | re-bpy-co3-cl-1e_eq | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | AM64L-G16RevA.03 | |
| cml.method | b3lyp | |
| cml.basisset | LANL2DZ CC-PVDZ GEN | |
| cml.multiplicity | 2 | |
| cml.shelltype | open | |
| cml.charge | -1 | |
| cml.energy.value | -1375.173552 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C13H8ClN2O3Re | |
| cml.calculationtype | Single point Structure | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Easiq_Marcus - DOI: 10.19061/iochem-bd-1-437 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/121351
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