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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pires-Valverde, Danillo | - |
| dc.date.accessioned | 2024-03-20T15:23:54Z | - |
| dc.date.available | 2024-03-20T15:23:54Z | - |
| dc.date.created | 2024-03-20T11:23:53.239-04:00 | - |
| dc.date.issued | 2024-03-20T11:23:53.239-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/140 | - |
| dc.description | Geometry optimization of the S2 state for pentazine | - |
| dc.publisher | Matter Lab | - |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /SCS-ADC2/optimizations/default_parameters pentazine_optS2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-03-20T15:23:54Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.4 | en |
| cml.program.other | RELEASE | en |
| cml.formula.generic | C8H5N5 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | INVEST-molecules | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/140
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