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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Aug-2018 | /ni3p2_ni2p/ts_c2h2 ts_4_5_1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -672.76108663; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/c2h6 4 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.88543755; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/h2 1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -640.37805083; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/ts_c2h2 c2h2+2h | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -666.25984378; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/ts_c2h2 c2h5+h_2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.61495868; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/ts_c2h2 ts_2_3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -665.32647705; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/c2h4 5 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -666.08481029; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/c2h4 3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -665.62450982; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/c2h6 5 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.82230806; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/c2h6 2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -673.87942971; eV |
Results 261-270 of 314 (Search time: 0.001 seconds).