ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bro-Jørgensen, William | - |
| dc.date.accessioned | 2023-11-18T19:25:59Z | - |
| dc.date.available | 2023-11-18T19:25:59Z | - |
| dc.date.created | 2023-11-18T19:25:51.811Z | - |
| dc.date.issued | 2023-11-18T19:25:51.811Z | - |
| dc.identifier.uri | https://iochembd.chem.ku.dk/browse/handle/100/111 | - |
| dc.description | Geometry optimization of A1 | - |
| dc.publisher | School of Chemistry, IISER | - |
| dc.publisher | University of Copenhagen | - |
| dc.publisher | Indian Institute of Science | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-9-5 | - |
| dc.rights | CC BY 4.0 (c) University of Copenhagen, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Molecular electronics | - |
| dc.subject | Landauer transmission | - |
| dc.title | /gas_phase A1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-11-18T19:25:58Z | - |
| cml.program.name | Siesta | en |
| cml.program.version | 5.0.0-alpha-76-gf0a1dd915 | en |
| cml.method | GGAPBE | en |
| cml.charge | 0 | en |
| cml.formula.generic | C14H12S2 | en |
| cml.calculationtype | Geometry optimization | en |
| Appears in Collections: | au_thiol_interface - DOI: 10.19061/iochem-bd-9-5 | |
Please use this identifier to cite or link to this item:
https://iochembd.chem.ku.dk/browse/handle/100/111
Item files in Browse 
HTML5 resume (see conditions inside)