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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Nov-2018 | _H_1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -172.83102631; eV | ||||
5-Nov-2018 | _withPt_static_CN_CN2vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -199.81179115; eV | ||||
5-Nov-2018 | _withPt_static_OH_OH1vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -177.41059209; eV | ||||
5-Nov-2018 | _withoutyPt_static_F_F2nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -172.80421798; eV | ||||
5-Nov-2018 | _withPt_static_F_F2nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -174.56949911; eV | ||||
5-Nov-2018 | _F_3_5 | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | Single point | DFT | - | -174.20664704; eV | ||||
5-Nov-2018 | _withoutyPt_static_CN_CN2vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -197.05026272; eV | ||||
5-Nov-2018 | _withoutyPt_static_H_H2vedle | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -172.34595040; eV | ||||
5-Nov-2018 | _withPt_static_OH_OH1nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -178.64769071; eV | ||||
5-Nov-2018 | _withPt_static_CN_CN1nad | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -183.79335244; eV |
Results 31-40 of 209 (Search time: 0.001 seconds).