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Manuscript title: The minimum polarizability principle for spin states
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Swart, Marcel | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2019-01-31T16:03:42Z | - |
| dc.date.available | 2019-01-31T16:04:50Z | - |
| dc.date.created | 2019-01-31T17:03:40.72+01:00 | - |
| dc.date.issued | 2019-01-31T17:03:40.72+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/473 | - |
| dc.description | tz2p_Fe_IInc2co_3.195658.out, directory /Users/swart/Output/crapula/home/calcs/jcmse10/opbe | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: The minimum polarizability principle for spin states DOI: 10.3233/jcm-2010-0347 | - |
| dc.relation.uri | http://dx.doi.org/10.3233/jcm-2010-0347 | - |
| dc.rights | CC BY 4.0 (c) UdG, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /OPBE tz2p_Fe_IInc2co_3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-01-31T16:03:42Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2009 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 3 | en |
| cml.spintype | Restricted | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -54.97480634 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C3FeN2O | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 95 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | JCMSE2010 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/473
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