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Manuscript title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Borowski, Tomasz | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2017-10-30T10:54:28Z | - |
| dc.date.available | 2017-10-30T10:54:28Z | - |
| dc.date.created | 2017-10-30T11:54:26.851+01:00 | - |
| dc.date.issued | 2017-10-30T11:54:26.851+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/386 | - |
| dc.description | orca mossbauer with point charges | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase DOI: 10.1002/chem.201704617 Journal: Chem. Eur. J. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.201704617 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | M1_Orca | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-10-30T10:54:28Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 3.0.2 | en |
| cml.program.other | RELEASE | en |
| cml.method | DFT | en |
| cml.basisset | SV(P) | en |
| cml.multiplicity | 5 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -3892.11734351 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C 29 H 67 Fe 1 N 12 O 11 | 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: | Fe-hARD_Mossbauer - DOI: 10.19061/iochem-bd-4-4 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/386
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