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Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Phung, Quan | - |
| dc.coverage.spatial | Spain ES | - |
| dc.date.accessioned | 2016-09-09T10:43:39Z | - |
| dc.date.available | 2016-09-09T10:43:39Z | - |
| dc.date.created | 2016-09-09T12:43:38.069+02:00 | - |
| dc.date.issued | 2016-09-09T12:43:38.069+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/10 | - |
| dc.description | FeOH2 CASPT2 geometry | - |
| dc.publisher | UdG | - |
| dc.rights | CC BY 4.0 (c) UdG, 2016 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | FeOH2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2016-09-09T10:43:39Z | - |
| cml.program.name | Molcas | en |
| cml.program.version | 8.0 | en |
| cml.method | CASSCF | en |
| cml.method | CASPT2 | en |
| cml.basisset | ANO-L | en |
| cml.multiplicity | 4 | en |
| cml.charge | 1 | en |
| cml.formula.generic | H 2 Fe 1 O 1 | en |
| cml.calculationtype | Geometry optimization Incomplete | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | true | en |
| Appears in Collections: | dmrg | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/10
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