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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-2 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -180.49959209; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-3 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -180.17354297; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-4 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -179.69787736; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-5 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -179.71603277; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-6 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -180.12690462; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-7 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -180.49321913; eV | |||
 | 1-Mar-2024 | /RWGS_on_Ni/Energy_profiles/OH-form OH-8 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -180.65709746; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 C-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -165.28126947; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CH-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -169.08427634; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CO-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -172.83613839; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 CO2-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -179.42252375; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 COH-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -175.94927025; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 COOH-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -183.71693941; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -160.06856296; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2-top-Cu | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -163.11294181; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2-top-Ni | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -163.50191524; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 H2O-top-Ni | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -170.94711520; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 HCOO-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -183.45815495; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 O-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -163.45819534; eV | |||
 | 1-Mar-2024 | /RWGS_on_NiCu/Adsorption_energies/Ni3Cu-100 OH-hollow | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -167.32139786; eV |