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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Solé-Daura, Albert | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2024-05-27T12:17:36Z | - |
| dc.date.available | 2024-05-27T12:17:36Z | - |
| dc.date.created | 2024-05-27T14:17:35.158079+02:00 | - |
| dc.date.issued | 2024-05-27T14:17:35.158079+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/1708 | - |
| dc.description | PW9_TS-H | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-70 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Epoxidation | - |
| dc.subject | Alkenes | - |
| dc.subject | Titanium | - |
| dc.subject | Polyoxometalates | - |
| dc.title | PW9_TS-H | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-05-27T12:17:36Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevA.02 | en |
| cml.method | RB3LYP | en |
| cml.basisset | GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | -3 | en |
| cml.formula.generic | C12H28O39PSi3TiW9 | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ti-SiloxPOM_stability - DOI: 10.19061/iochem-bd-2-70 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/1708
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