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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_028 disp_028 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -5036.15969384; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH_2/phonopy/disp_020 disp_020 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -121.36330839; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_028 disp_028 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -60.87617767; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_033 disp_033 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -60.87504349; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_050 disp_050 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -60.86544366; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_036 disp_036 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -60.88231305; eV | |||
| 2-Jul-2025 | /CuOx_testDD/model_1/CO48 CO48 | Benzidi, Hind | vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex | Single point | DFT | - | -439.12246273; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_021 disp_021 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -77009.83708612; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuWO4/phonopy/disp_014 disp_014 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -20048.23841378; eV | |||
| 2-Jul-2025 | /Bulk_structure/pourbaix_diagram/CuOH2/phonopy/disp_022 disp_022 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -31.23870262; eV |
Results 93761-93770 of 94148 (Search time: 0.053 seconds).
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Subject
- 10601 Heterogeneous catalysis
- 9523 Adsorption
- 9253 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 N-Oxides
- 4163 Electrochemical CO₂ reduction
- 3760 Copper
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