ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Garcia, Sergio | - |
| dc.date.accessioned | 2023-08-04T13:04:18Z | - |
| dc.date.available | 2023-08-04T13:14:08Z | - |
| dc.date.created | 2023-08-04T09:04:16.452-04:00 | - |
| dc.date.issued | 2023-08-04T09:04:16.452-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/7 | - |
| 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 | /workflow/mol_1 Freq | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-08-04T13:04:18Z | - |
| 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 | C55H40N2 | 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/100/7
Item files in Browse 
HTML5 resume (see conditions inside)