ioChem-BD Browse module - Item page
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Garcia, Sergio | - |
dc.date.accessioned | 2023-08-04T13:05:02Z | - |
dc.date.available | 2023-08-04T13:14:10Z | - |
dc.date.created | 2023-08-04T09:05:01.581-04:00 | - |
dc.date.issued | 2023-08-04T09:05:01.581-04:00 | - |
dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/25 | - |
dc.description | Frequency | - |
dc.publisher | Matter Lab | - |
dc.publisher | University of Toronto | - |
dc.rights | CC BY 4.0 (c) Matter Lab, 2023 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /campaign/mol_1 Freq | - |
dc.type | dataset | - |
dc.date.updated | 2023-08-04T13:05:02Z | - |
cml.program.name | Orca | en |
cml.program.version | 5.0.3 | en |
cml.program.other | RELEASE | en |
cml.method | DFT | en |
cml.basisset | def2-SVP | en |
cml.formula.generic | C55H37N5 | 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: | ChemOS2_0 |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/25