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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | ||||
| 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_a4_int | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1985.95735224; eV | ||||
| 16-May-2018 | Au_mobility_a4 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1986.87076660; eV | ||||
| 16-May-2018 | Au_mobility_a5 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1980.83459657; eV | ||||
| 16-May-2018 | Au_mobility_a4_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -1985.57511630; eV | ||||
| 16-May-2018 | Au_mobility_a2 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -1991.80807123; eV | ||||
| 11-Feb-2016 | Ru4 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -2262.346995; eV | ||||
| 16-May-2018 | Au_mobility_a1_ts | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | PBE | - | -1991.43681141; eV | ||||
| 16-May-2018 | Au_mobility_a3 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | PBE | - | -2006.72983107; eV |
Results 22631-22640 of 104508 (Search time: 0.015 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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