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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Saureu, Sergi | - |
| dc.date.accessioned | 2016-04-05T07:46:56Z | - |
| dc.date.available | 2016-04-05T07:46:56Z | - |
| dc.date.created | 2016-04-05T09:46:55.192+02:00 | - |
| dc.date.issued | 2016-04-05T09:46:55.192+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/207 | - |
| dc.description | TD-DFT/PBE0/def2-TZVP of the LS state. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-3 | - |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Chapter_3/TD-DFT Fe(phen)3_LS_PBE0 | - |
| dc.date.updated | 2016-04-05T07:46:56Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 3.0.1 | en |
| cml.program.other | RELEASE | en |
| cml.method | TDDFT | en |
| cml.basisset | def2-TZVP | en |
| cml.basisset | def2-TZVP/J | en |
| cml.spintype | Unrestricted | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | From Mononuclear to Dinuclear: Magnetic Properties of Transition Metal Complexes - DOI: 10.19061/iochem-bd-2-3 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/207
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