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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Dec-2023 | Yb4-1002 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | ||||
12-Dec-2023 | Yb4-1081 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | ||||
12-Dec-2023 | Yb4-922 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | ||||
12-Dec-2023 | Yb4-monomer | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - |
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- 24 Single point
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- 24 U-DFT