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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Apr-2016 | /Chapter_4/PBE0_OPT Fe(qsal)2_IS_PBE0 | Saureu, Sergi | TURBOMOLE; 6.6 | Geometry optimization TS | U-DFT | def2-TZVP | -2864.258874143; Eh |
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