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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-May-2018 | MECH_c1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1993.72755200; eV | |||
 | 16-May-2018 | MECH_c2 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1994.80828523; eV | |||
 | 16-May-2018 | AuCl_mobility_b4_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -1990.41336024; eV | |||
 | 16-May-2018 | AuCl_mobility_b1 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1996.36068711; eV | |||
 | 16-May-2018 | AuCl_mobility_b1_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -1995.52880339; eV | |||
 | 16-May-2018 | AuCl_mobility_b5 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1990.16359759; eV | |||
 | 16-May-2018 | AuCl_mobility_b3_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -2011.05988109; eV | |||
 | 16-May-2018 | AuCl_mobility_b2 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1995.79714017; eV | |||
 | 16-May-2018 | Au_mobility_a6 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1983.81266948; eV | |||
 | 16-May-2018 | Au_mobility_a6_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -1980.62896380; eV |
Results 31-40 of 99 (Search time: 0.001 seconds).