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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Aug-2018 | /ni3p1_ni2p/c2h4 7 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -668.01903908; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/h2 2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -642.48338658; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/c2h6 4 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -676.22608897; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/c2h4 8 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -667.55500274; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/c2h6 2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -676.14653424; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/c2h4 6 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -667.92935303; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/ch3 2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -655.31372899; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/h2 1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -642.08354226; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/ch3 1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -655.55701118; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/h2 3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -641.95382193; eV |
Results 151-160 of 314 (Search time: 0.001 seconds).