Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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/au_metal_ads DMC_diss_Au_111 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -290.81085824; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas TDAdiss+MC2diss | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:51:08) gamma-only | Geometry optimization | DFT | - | -2006.78686459; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/au_metal_ads DMC_ads_Au_100 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -518.49361136; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/au_metal_ads DMC_ads_Au_111 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -292.29377537; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas MC2diss+OCH3 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -1332.90716380; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas TS2_1 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Improved Dimer Method | DFT | - | -1332.43311677; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/Ureas MC2ads | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -1332.63162865; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH/au_metal_ads DMC_ads_Au_211 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -502.75532818; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 TS_MC2_form_Au100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Improved Dimer Method | DFT | - | -1598.24438467; eV | |||
 | 18-Sep-2019 | /F2F_20th-September-2019_ETH//F2F_20th-September-2019_ETH Au_CeO2 DMCd+TDAd_Au100CeO2 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -1598.38827846; eV |
Results 441-450 of 583 (Search time: 0.002 seconds).
Discover
Subject