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 | ||
 | _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_static | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -175.08461690; 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 | ||
 | _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 | ||
 | _OH_hollow | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -182.24418294; eV | ||
 | _OH_top | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -184.33074304; eV | ||
 | _F_bridge | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -170.46053508; eV | ||
 | _F_hollow | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | - | ||
 | _F_top | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -172.05643010; eV | ||
 | _H_bridge | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -169.56636097; eV | ||
 | _H_hollow | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | - | ||
 | _H_top | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -171.63688706; eV | ||
 | _Pt_top | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -170.29580797; eV | ||
 | _Pt_bridge | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -170.21584640; eV | ||
 | _CN_top | Fako, Edvin | vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex | DFT | - | -196.12260994; eV | ||
 | _CN-static_b_1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -183.90730731; eV |
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