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Manuscript title: Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Mollfulleda, Rosa | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2023-11-07T14:20:07Z | - |
| dc.date.available | 2024-03-20T18:04:39Z | - |
| dc.date.created | 2023-11-07T15:20:06.42+01:00 | - |
| dc.date.issued | 2023-11-07T15:20:06.42+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/5096 | - |
| dc.description | opt_pFRu2_0_1.3907920.out | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions DOI: 10.1002/advs.202401293 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-68 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/advs.202401293 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Electronic structure | - |
| dc.subject | metal-metal bond | - |
| dc.subject | Bidentate ligands | - |
| dc.subject | Diruthenium | - |
| dc.title | opt_pFRu2_0_1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-11-07T14:20:07Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 307 | en |
| cml.method | S12g-x PBEc | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C52H36F8N8Ru2 | 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: | Ru2_Torsion_effects - DOI: 10.19061/iochem-bd-4-68 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5096
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