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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Dec-2023 | pbe0 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1026.336608067; Eh | |||
 | 6-Dec-2023 | tpssh | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1026.994153106; Eh | |||
 | 6-Dec-2023 | tpss | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1027.046274146; Eh | |||
 | 6-Dec-2023 | m06 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1026.601457979; Eh | |||
 | 6-Dec-2023 | turbo-pbe0-d3 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def-TZVP | -1251.221849474; Eh | |||
 | 6-Dec-2023 | turbo-pbe0 | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def2-TZVP; def-TZVP | -1251.185866357; Eh | |||
 | 6-Dec-2023 | turbo | Vlaisavljevich, Bess | TURBOMOLE; 7.3 | Geometry optimization Minimum | U-DFT | def-TZVP; def2-TZVP | -1095.725479010; Eh |
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