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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 21-Jun-2017 | Ag-2323 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -167.33248561; eV | |||
![]() | 21-Jun-2017 | Ag-0101 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -128.61518009; eV | |||
![]() | 21-Jun-2017 | Ag-2321 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -167.11682035; eV | |||
![]() | 21-Jun-2017 | Ag-2322 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -166.11908480; eV | |||
![]() | 21-Jun-2017 | Ag-2415 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -163.22166753; eV | |||
![]() | 21-Jun-2017 | Ag-2225 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -162.14136984; eV | |||
![]() | 21-Jun-2017 | Ag-2224 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -162.81614736; eV | |||
![]() | 21-Jun-2017 | Ag-2223 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -162.69571819; eV | |||
![]() | 21-Jun-2017 | Ag-2222 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -163.11847061; eV | |||
![]() | 21-Jun-2017 | Ru-2322 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -466.26758430; eV |
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- 924 Microkinetic
- 924 Nickel
- 924 Osmium
- 924 Palladium
- 924 Platinum
- 924 Principal Component Analysis
- 924 Reforming
- 924 Rhodium
- 924 Ruthenium
- 924 Silver
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