ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | - |
| dc.date.accessioned | 2019-03-28T09:57:06Z | - |
| dc.date.available | 2019-05-07T09:49:58Z | - |
| dc.date.created | 2019-03-28T10:57:04.802+01:00 | - |
| dc.date.issued | 2019-03-28T10:57:04.802+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/19265 | - |
| dc.description | L-cysteine configuration C2 adsorption on Au(321) facet (3x3x1 k-point mesh). | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-114 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Low_coverage/Configurational_space (321)_configuration_C2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-03-28T09:57:06Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -299.30285217 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C3H6Au64NO2S | 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: | Chirality_transfer_in_gold_nanoparticles_by_L-cysteine - DOI: 10.19061/iochem-bd-1-114 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/19265
Item files in Browse 
HTML5 resume (see conditions inside)