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Manuscript title: Towards a Universal Scaling Method for Predicting Equilibrium Constants of Polyoxometalates
DOI: 10.1039/D4DD00358F
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Buils, Jordi | - |
| dc.date.accessioned | 2024-09-06T10:36:01Z | - |
| dc.date.available | 2025-11-10T15:03:49Z | - |
| dc.date.created | 2024-09-06T12:36:00.014239+02:00 | - |
| dc.date.issued | 2024-09-06T12:36:00.014239+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/93718 | - |
| dc.description | Single point calculation for W02O07-2H | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Towards a Universal Scaling Method for Predicting Equilibrium Constants of Polyoxometalates DOI: 10.1039/D4DD00358F | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-346 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D4DD00358F | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Universal Scaling | - |
| dc.subject | HPA | - |
| dc.subject | POMSimulator | - |
| dc.subject | IPA | - |
| dc.subject | Polyoxometalates | - |
| dc.title | /M06L/W W02O07-2H | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-09-06T10:36:01Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.method | M06-L == Not Default == | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | H2O7W2 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Universal_Scaling - DOI: 10.19061/iochem-bd-1-346 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/93718
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