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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Stanczak, Agnieszka | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2019-03-04T21:17:53Z | - |
| dc.date.available | 2019-03-04T21:17:53Z | - |
| dc.date.created | 2019-03-04T22:17:51.642+01:00 | - |
| dc.date.issued | 2019-03-04T22:17:51.642+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/515 | - |
| dc.description | peroxo intermediate (P_Cl) in wB97XD functional | - |
| dc.publisher | UdG | - |
| dc.rights | CC BY 4.0 (c) UdG, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | P_Cl_wB97XD | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-03-04T21:17:53Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | AM64L-G09RevC.01 | en |
| cml.method | UwB97XD | en |
| cml.spintype | Unrestricted | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Cu_enolate_benchmark | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/515
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