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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Aug-2021 | epo2-Rh-Cl0 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -2019.35051880; eV | ||||
19-Aug-2021 | epo2-Pt-Cl0 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -2018.03253486; eV | ||||
19-Aug-2021 | rol3-Au-Cl1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1973.02722017; eV | ||||
19-Aug-2021 | epo2-Pt-Cl1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -2022.42934247; eV | ||||
19-Aug-2021 | epo2-Pt-Cl2 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -2025.61182873; eV | ||||
19-Aug-2021 | rol3-Pt-Cl3 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1983.22436654; eV | ||||
19-Aug-2021 | oxides-RuO2-surf110 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -716.16991998; eV | ||||
19-Aug-2021 | oxides-RhO2-bulk | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -40.54132005; eV | ||||
19-Aug-2021 | 111-Ru-Ru_ac_breaking | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1322.12566227; eV | ||||
19-Aug-2021 | oxides-IrO2-surf110 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -679.42715783; eV |
Results 2191-2200 of 2304 (Search time: 0.003 seconds).