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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Laconsay, Croix | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2022-06-01T18:50:24Z | - |
| dc.date.available | 2022-06-01T18:50:24Z | - |
| dc.date.created | 2022-06-01T20:50:20.908+02:00 | - |
| dc.date.issued | 2022-06-01T20:50:20.908+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/216072 | - |
| dc.description | TS_C_D_don_c7_me | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS_C_D_don_c7_me | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-06-01T18:50:23Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.basisset | DEF2SVP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | en | |
| cml.charge | 0 | en |
| cml.energy.value | -1715.94481172 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C23H26O8Rh2 | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Semibullvalene_from_cycloheptatrienes | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/216072
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