Full metadata record
| DC Field | Value | Language |
|---|---|---|
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -168.49131181 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C18F | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| cml.formula.smiles | CCC1CC(C)C2C(C)C(CC)CC(C)C2C1C.F | en |
| dc.contributor.author | Fako, Edvin | - |
| dc.contributor.other | Institute of Chemical Research of Catalonia | en |
| dc.date.accessioned | 2018-11-05T20:21:45Z | - |
| dc.date.accessioned | 2022-02-01T11:58:41Z | - |
| dc.date.available | 2018-11-05T20:21:45Z | - |
| dc.date.available | 2022-02-01T11:58:41Z | - |
| dc.date.created | 2018-11-05T21:21:43.733+01:00 | - |
| dc.date.issued | 2018-11-05T21:21:43.733+01:00 | - |
| dc.identifier.uri | https://www.iochem-bd.org//handle/10/237396 | - |
| dc.description | t+b+h_oneside | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.publisher | Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacký University, Olomouc, Czech Republic | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | _F1_h | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-11-05T20:21:45Z | - |
| Appears in Collections: | Pt@graphene(F, OH, H, CN) | |
Please use this identifier to cite or link to this item:
https://www.iochem-bd.org//handle/10/237396
Item files in Find 
HTML5 resume (see conditions inside)