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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pires-Valverde, Danillo | - |
| dc.date.accessioned | 2024-03-20T15:22:43Z | - |
| dc.date.available | 2024-03-20T15:22:43Z | - |
| dc.date.created | 2024-03-20T11:22:42.655-04:00 | - |
| dc.date.issued | 2024-03-20T11:22:42.655-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/110 | - |
| dc.description | Vertical excitation energy at SCS-ADC(2)/def2-TZVP level with cos 0.8 | - |
| 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/scan_parameters/cos heptazine-cos_0_8 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-03-20T15:22:43Z | - |
| cml.program.name | TURBOMOLE | en |
| cml.program.version | 7.5.0 | en |
| cml.method | ADC(2) | en |
| cml.basisset | def2-TZVP | en |
| cml.formula.generic | C6H3N7 | 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: | INVEST-molecules | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/110
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