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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Aug-2018 | /ni4p3_ni5p4/ts_methyl_but_ol_P_P_site ts_3_4_1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -932.53001863; eV | |||
 | 23-Aug-2018 | /ni4p3_ni5p4/ts_c2h2_P_Ni_site ts_4_5_1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -883.58037226; eV | |||
 | 23-Aug-2018 | /ni4p3_ni5p4/ts_c2h2_PP_site ts_4_5_1 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -881.74779907; eV | |||
 | 23-Aug-2018 | /ni4p3_ni5p4/ts_c2h2_PP_site ts_2_3 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -876.01773415; eV | |||
 | 23-Aug-2018 | /ni3p2_ni2p/ts_c2h2 ts_5_6_2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -672.72057180; eV | |||
 | 23-Aug-2018 | /ni3p1_ni2p/ts_calculation ts_4_5_2 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Improved Dimer Method | DFT | - | -675.21331732; eV |
Results 1-6 of 6 (Search time: 0.0 seconds).