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Manuscript title: Propane Dehydrogenation Catalyzed by Pt Clusters (Pt2−Pt6) in Gas Phase and Supported on g‑C3N4 and γ‑Al2O3: A Theoretical Study
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pan, Jie | |
| dc.date.accessioned | 2025-07-17T11:47:17Z | - |
| dc.date.available | 2025-09-27T07:29:05Z | - |
| dc.date.created | 2025-07-17T13:46:18.632723+02:00 | |
| dc.date.issued | 2025-07-17T13:46:18.632723+02:00 | |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2726 | - |
| dc.description.abstract | Pt6-Al2O3_a | |
| dc.publisher | Universitat Rovira i Virgili | |
| dc.relation | Original title: Propane Dehydrogenation Catalyzed by Pt Clusters (Pt2−Pt6) in Gas Phase and Supported on g‑C3N4 and γ‑Al2O3: A Theoretical Study DOI: 10.1021/acsomega.5c07626 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-83 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acsomega.5c07626 | * |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Pt6-Al2O3 Pt6-Al2O3_a | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.3.5 | |
| cml.program.other | 31Mar14 (build Oct 30 2014 12:56:31) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -1215.69709961 | |
| cml.energy.units | eV | |
| cml.formula.generic | Al64O96Pt6 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | VASP-PDH-Pt2-Pt6-C3N4-AL2O3 - DOI: 10.19061/iochem-bd-2-83 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2726
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