Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | _CN1_t | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -180.91076673; eV | ||
 | _CN1_b | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -179.54943384; eV | ||
 | _CN1_h | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -180.06031197; eV | ||
 | _F1_t | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -169.03380395; eV | ||
 | _F1_t_static | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -169.03162890; eV | ||
 | _F1_h | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.49131181; eV | ||
 | _F1_b | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.69676780; eV | ||
 | _F1_h1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.50712327; eV | ||
 | _H1_t | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.59202894; eV | ||
 | _H1_b | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -167.53614257; eV | ||
 | _H1_h | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -164.46215850; eV | ||
 | _OH1_t | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -175.08024202; eV | ||
 | _OH1_t_static | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -175.08461690; eV | ||
 | _OH1_h | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -174.50092833; eV | ||
 | _OH1_b | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -174.52757574; eV | ||
 | _OH1_h1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -174.46683753; eV | ||
 | _OH1_t1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -175.05433300; eV | ||
 | _Pt1_b | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -169.03068633; eV | ||
 | _Pt1_b_static | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -169.03231736; eV | ||
 | _Pt1_t | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.88440110; eV | ||
 | _Pt1_h | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.30504947; eV | ||
 | _Pt1_h1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -168.30841556; eV | ||
 | _CN_bridge | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -193.65184211; eV | ||
 | _CN_hollow | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -193.52181153; eV | ||
 | _OH_bridge | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -182.34812237; eV |
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