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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Spivak, Mariano | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2018-07-20T20:42:08Z | - |
| dc.date.available | 2018-07-20T20:42:08Z | - |
| dc.date.created | 2018-07-20T22:42:03.833+02:00 | - |
| dc.date.issued | 2018-07-20T22:42:03.833+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/542 | - |
| dc.description | CASSCF 8,8 S=8 for Cr2dpa4 at 2.30 A | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-30 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /dpa Cr2dpa4_2_30_8_test | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-07-20T20:42:08Z | - |
| cml.program.name | Molcas | en |
| cml.program.version | 8.0 | en |
| cml.method | CASSCF | en |
| cml.multiplicity | 9 | en |
| cml.charge | 0 | en |
| cml.formula.generic | C40H32Cr2N12 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | true | en |
| Appears in Collections: | Cr2M - DOI: 10.19061/iochem-bd-2-30 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/542
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