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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Masip, Albert | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2023-02-22T12:23:17Z | - |
| dc.date.available | 2023-02-22T12:23:17Z | - |
| dc.date.created | 2023-02-22T13:23:12.571+01:00 | - |
| dc.date.issued | 2023-02-22T13:23:12.571+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/1145 | - |
| dc.description | Benzylaminium cation | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-61 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Vanadates | - |
| dc.subject | Polyanions | - |
| dc.subject | Polyoxometalates | - |
| dc.subject | Protonation | - |
| dc.subject | Vanadium | - |
| dc.title | Benzylaminium | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-02-22T12:23:16Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 306 | en |
| cml.method | BP86 | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -3.78038169 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C7H10N | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | PV14-benzylammonium_in_water - DOI: 10.19061/iochem-bd-2-61 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/1145
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