ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide
Journal: PCCP
DOI: 10.1039/C8CP01930D
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Elbaz, Yuval | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2018-07-02T06:14:34Z | - |
| dc.date.available | 2018-07-02T06:14:34Z | - |
| dc.date.created | 2018-07-02T08:14:32.192+02:00 | - |
| dc.date.issued | 2018-07-02T08:14:32.192+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/192839 | - |
| dc.description | NEB calculation | - |
| dc.publisher | Division of Chemistry, NRCN | - |
| dc.publisher | Fritz Haber Research Center for Molecular Dynamics, Institute of Chemistry, Hebrew University of Jerusalem | - |
| dc.publisher | Department of Materials Science and Engineering, Technion - Israel Institute of Technology | - |
| dc.relation | Original title: Hydrogen Transfer through Different Crystal Phases of Nickel Oxy/hydroxide DOI: 10.1039/C8CP01930D Journal: PCCP | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Interstitial_NiOOH Interstitial_diffusion_in_NiOOH | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-07-02T06:14:34Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Sep 16 2013 14:52:01) complex | en |
| cml.method | PBE+U | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -241.85460017 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H13Ni12O24 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 10 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | H_Diffusion_in_nickel_oxy_hydroxide | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/192839
Item files in Browse 
HTML5 resume (see conditions inside)