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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2020 | CO2 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | DFT | - | -22.95300574; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i25 | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1136.81882352; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i04 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1091.69517563; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i02-green | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1106.38878997; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i26 | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1136.92834381; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i17 | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1115.36400403; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i03-green | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1106.45894861; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i02-red | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1106.71184829; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i20 | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1123.13034367; eV | |||
 | 9-Oct-2020 | Ni1-In2O3-i24 | García Muelas, Rodrigo | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | Geometry optimization | DFT | - | -1130.69071947; eV |
Results 1-10 of 43 (Search time: 0.001 seconds).