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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Benzidi, Hind | |
| dc.date.accessioned | 2026-02-02T10:40:32Z | - |
| dc.date.available | 2026-11-03T07:43:40Z | - |
| dc.date.created | 2026-02-02T11:40:26.557495+01:00 | |
| dc.date.issued | 2026-02-02T11:40:26.557495+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/113608 | - |
| dc.description.abstract | 3ODA | |
| 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-1-415 | - |
| 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 | /Gaussian_calculation/3ODA 3ODA | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | AM64L-G16RevA.03 | |
| cml.method | RwB97XD | |
| cml.basisset | 6-31G(D) | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -2292.0227487 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C54H117N3 | |
| cml.calculationtype | Single point Structure | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Au_oda project - DOI: 10.19061/iochem-bd-1-415 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/113608
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