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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Fondevila, Adiran J. De Aguirre | - |
| dc.date.accessioned | 2020-08-09T15:33:39Z | - |
| dc.date.available | 2020-08-09T15:33:39Z | - |
| dc.date.created | 2020-08-09T17:33:37.55+02:00 | - |
| dc.date.issued | 2020-08-09T17:33:37.55+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/26980 | - |
| dc.description | double-s2-opt-freq | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-180 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | double-s2-opt-freq | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-08-09T15:33:39Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | ONIOM | en |
| cml.method | gaussian--mm | en |
| cml.method | UFF | en |
| cml.basisset | DUMMY MIXED | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | en | |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.charge | 0 | en |
| cml.formula.generic | C4332H312 | en |
| cml.calculationtype | Single point Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Ru-polymer-surface - DOI: 10.19061/iochem-bd-1-180 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/26980
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