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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ser, Cher Tian | - |
| dc.date.accessioned | 2025-12-17T19:23:58Z | - |
| dc.date.available | 2025-12-17T19:23:58Z | - |
| dc.date.created | 2025-12-17T14:23:56.771814-05:00 | - |
| dc.date.issued | 2025-12-17T14:23:56.771814-05:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/5899 | - |
| dc.description | Rtb3-2-opt | - |
| dc.publisher | University of Toronto | - |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Rtb3-2/Rtb3-2-opt Rtb3_2_opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-12-17T19:23:58Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 6.0.0 | en |
| cml.program.other | RELEASE | en |
| cml.method | DFT | en |
| cml.basisset | def2-SVP | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -967.05553365064782 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C25H27 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Photochemical_post-functionalization_of_polystyrene | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/5899
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