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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | |
| dc.date.accessioned | 2026-07-24T09:27:19Z | - |
| dc.date.available | 2026-11-04T14:55:12Z | - |
| dc.date.created | 2026-07-24T11:26:33.999612+02:00 | |
| dc.date.issued | 2026-07-24T11:26:33.999612+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/120731 | - |
| dc.description.abstract | Au-cysteine complex with S-Au interaction deposited with an additional Au atom on s2 and s3b of Au(520) surface | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf5-2-Au-cysteine_S-Au-s3b | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | |
| cml.method | DFT | |
| cml.shelltype | Closed shell | |
| cml.energy.value | -433.79703597 | |
| cml.energy.units | eV | |
| cml.formula.generic | C3H6Au102NO2S | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Au-chiral-induction - DOI: 10.19061/iochem-bd-1-431 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/120731
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