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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 DMCd+TDAd_Ag111CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1579.18954841; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 DMCd+TDAd_Ag100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1579.24252119; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 MC2_ads_Ag100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1579.50664360; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 DMC_diss_Ag100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1492.29883693; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 DMC_ads_Ag100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1492.03236134; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 TDA_diss_Ag100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1540.01856337; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_CeO2 MC2_ads_Ag111CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1579.60075737; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_metal_ads MC2_diss_Ag_111 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -584.65232915; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_metal_ads MC2_ads_Ag_100 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -534.66147529; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ag_metal_ads MC2_ads_Ag_111 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -586.21226982; eV |
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