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Manuscript title: Ligand Substituent Effects on the Electronic Properties of Lindqvist-Type Polyoxometalate Multi-Level-Switches in the Gas Phase, Solution and on Surfaces
Journal: Adv. Mater.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Kawa, Sebastian | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-03-21T14:26:02Z | - |
| dc.date.available | 2025-07-29T09:26:10Z | - |
| dc.date.created | 2024-03-21T15:25:59.655+01:00 | - |
| dc.date.issued | 2024-03-21T15:25:59.655+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/319879 | - |
| dc.description | V6-Ad_pbe1pbe_VDE | - |
| dc.publisher | Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry, Leipzig University, Linnestrasse 2, 04103 Leipzig, Germany | - |
| dc.relation | Original title: Ligand Substituent Effects on the Electronic Properties of Lindqvist-Type Polyoxometalate Multi-Level-Switches in the Gas Phase, Solution and on Surfaces DOI: 10.1002/admi.202400411 Journal: Adv. Mater. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/admi.202400411 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Hexavanadates | - |
| dc.title | /Ligand_Substituent_Effects_Polyoxometalates/V6_Ad_isomer V6-Ad_pbe1pbe_VDE | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-03-21T14:26:02Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.02 | en |
| cml.method | UPBE1PBE | en |
| cml.basisset | DEF2TZVPP | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | -1 | en |
| cml.energy.value | -8976.4097294 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C34H48N2O25V6 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ligand_Substituent_Effects_Polyoxometalates - DOI: 10.19061/iochem-bd-6-335 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/319879
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