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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Sep-2020 | /ruthenocene singl_BP86_ethanol | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -482.3387875024; Eh | |||
 | 4-Sep-2020 | /cobaltocenium tripl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -1770.026345937; Eh | |||
 | 4-Sep-2020 | /ferrocene singl_BP86-D3 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -1651.260138103; Eh | |||
 | 4-Sep-2020 | /cobaltocenium singl_BP86_water | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -1770.175947587; Eh | |||
 | 4-Sep-2020 | /cobaltocenium singl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -1770.098227621; Eh | |||
 | 4-Sep-2020 | /ruthenocene singl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -482.3317965291; Eh | |||
 | 4-Sep-2020 | /ferrocene singl_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | DFT | def2-TZVP | -1650.275231514; Eh |
Results 21-27 of 27 (Search time: 0.0 seconds).