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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Aug-2021 | at_and_mol-Au_SA-OUTCAR | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -0.20478210; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(111)-1Sn-COOH | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -224.48616961; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(111)-1Sn-HCOO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -225.31613287; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(111)-3Sn-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -215.63484202; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(111)-1Sn-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -214.21168552; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(111)-1Sn-H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -201.43188963; eV | |||
 | 12-Aug-2021 | /redCO2 Cu(100)-1Sn-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -211.66783180; eV | |||
 | 19-Aug-2021 | SA_DOS-rol3-Au | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1969.31797803; eV | |||
 | 19-Aug-2021 | SA_DOS-rol3-Pt | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1972.59479009; eV | |||
 | 19-Aug-2021 | SA_DOS-rol3-Pd | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1972.25169507; eV |
Results 10541-10550 of 44587 (Search time: 0.011 seconds).