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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2017 | /reactions/ni ts_a33 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -592.18758768; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a34 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.90072951; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a35 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.76410593; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a42 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.87794006; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a43 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.87418691; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a44 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.33775664; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_a45 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.90527756; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b01 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -697.42718894; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b02 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -696.22738706; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b03 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -695.17663275; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b04 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -696.95282631; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b11 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -698.01621905; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b12 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -697.38425960; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b13 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -696.82874389; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b14 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -696.33192441; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b15 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -594.46608925; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b16 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -594.45533125; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b32 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -598.40244366; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b33 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -598.79099576; eV | |||
 | 17-Oct-2017 | /reactions/ni ts_b34 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -591.92209438; eV |