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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /cobaltocenium singl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | DFT | def2-TZVP | -1770.098227621; Eh | ||
 | /cobaltocenium singl_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1 | DFT | def2-TZVP | -1769.111323142; Eh | ||
 | /cobaltocenium singl_BP86_water | Mariusz, Radon | TURBOMOLE; 7.0.1 | DFT | def2-TZVP | -1770.175947587; Eh | ||
 | /cobaltocenium tripl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | U-DFT | def2-TZVP | -1770.026345937; Eh | ||
 | /cobaltocenium tripl_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1 | U-DFT | def2-TZVP | -1769.064457030; Eh |
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