ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Chirality Transfer in Gold Nanoparticles by l-Cysteine Amino Acid: A First-Principles Study
Journal: J. Phys. Chem. C
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | - |
| dc.date.accessioned | 2019-03-28T09:57:00Z | - |
| dc.date.available | 2019-05-07T09:49:58Z | - |
| dc.date.created | 2019-03-28T10:56:58.785+01:00 | - |
| dc.date.issued | 2019-03-28T10:56:58.785+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/19263 | - |
| dc.description | L-cysteine adsorption on Au (100) facet (3x3x1 k-point mesh). | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Chirality Transfer in Gold Nanoparticles by l-Cysteine Amino Acid: A First-Principles Study DOI: 10.1021/acs.jpcc.9b02918 Journal: J. Phys. Chem. C | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-114 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.jpcc.9b02918 | * |
| 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 (100) | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-03-28T09:57:00Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build May 07 2014 16:01:45) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -302.45176564 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C3H7Au64NO2S | 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/100/19263
Item files in Browse 
HTML5 resume (see conditions inside)