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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Dec-2023 | YbTRAC-monomer | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | |||
| 18-Aug-2023 | EVP_1water | Barroso, Jorge | Orca; 5.0.4; RELEASE | Single point | DLPNO-CCSD(T); RHF | autoaux | -573.59404388; Eh | |||
| 12-Dec-2023 | Yb1-1030 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | |||
| 12-Dec-2023 | Yb-1085 | Barroso, Jorge | TURBOMOLE; 7.3 | Single point | U-DFT | def2-SVP | - | |||
| 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 | Yb4-791 | 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 | - |
Results 21-29 of 29 (Search time: 0.001 seconds).
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- 24 U-DFT
- 5 DLPNO-CCSD(T)
- 5 RHF