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DOI: 10.19061/iochem-bd-1-52
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View as
- ROOT
- Adsorption
- ni
- 3x3
- co
- h
- h2o
- o
- slab
- 4x4
- 7x4
- 3x3
- niru
- 4x4
- benzene
- phenol
- phenol_dissociated
- slab
- 7x4
- 4x4
- ru
- 3x3
- benzene
- co
- h
- h2o
- o
- oh
- phenol
- phenol_methoxy
- slab
- 4x4
- 7x4
- 3x3
- ni
- Gas_Geometries
- Solvation
- eg
- h2o
- reactions
- ni
- niru
- Adsorption
Discover
Program name
- 345 vasp
Calculation type
- 211 Single point
- 103 Geometry optimization
- 29 N/A
- 2 Frequencies