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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Dias da Silva, Gabriela | |
dc.date.accessioned | 2025-09-10T11:11:59Z | - |
dc.date.available | 2025-09-10T13:11:47.184272+02:00 | |
dc.date.available | 2025-09-10T11:11:59Z | - |
dc.date.created | 2025-09-10T13:11:47.184272+02:00 | |
dc.date.issued | 2025-09-10T13:11:47.184272+02:00 | |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/103144 | - |
dc.description.abstract | GDS05 | |
dc.publisher | Universidade Federal do ABC | |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
dc.title | GDS05 | |
dc.type | dataset | |
cml.program.name | Gaussian | |
cml.program.version | 09 | |
cml.program.other | EM64L-G09RevC.01 | |
cml.method | RB3LYP | |
cml.basisset | GEN | |
cml.multiplicity | 1 | |
cml.spintype | Restricted | |
cml.charge | 0 | |
cml.formula.generic | C16H17N3O5Te | |
cml.calculationtype | Geometry optimization Minimum | |
cml.hassolvent | false | |
cml.hasvibrationalfrequencies | false | |
cml.numberofjobs | 1 | |
cml.hasmolecularorbitals | false | |
Appears in Collections: | GDS05 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/103144