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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Nov-2018 | _withPt_static_CN_CN1vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -183.87539330; eV | ||||
5-Nov-2018 | _withPt_static_H_H1nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -172.21137075; eV | ||||
5-Nov-2018 | _F_j5 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -171.39313520; eV | ||||
5-Nov-2018 | _withPt_static_OH_OH2nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -186.03793517; eV | ||||
5-Nov-2018 | _withoutyPt_static_CN_CN2nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -197.03570948; eV | ||||
5-Nov-2018 | _withoutyPt_static_OH_OH1nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -175.07720486; eV | ||||
5-Nov-2018 | _withPt_static_F_F2vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -176.12860772; eV | ||||
5-Nov-2018 | _F_0_5 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -176.12860772; eV | ||||
5-Nov-2018 | _CN_3 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -183.32704265; eV | ||||
5-Nov-2018 | _OH_3_5 | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | Single point | DFT | - | -186.46875255; eV |
Results 21-30 of 209 (Search time: 0.001 seconds).