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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2016 | FeOH2 | Phung, Quan | Molcas; 8.0 | Geometry optimization Incomplete | CASSCF; CASPT2 | ANO-L | - | |||
 | 9-Sep-2016 | Acetic_acid | Phung, Quan | Molcas; 8.0 | Geometry optimization | DFT | ANO-S | - | |||
 | 9-Sep-2016 | Acrolein | Phung, Quan | TURBOMOLE; 6.4 | Single point Excited state | DFT | def2-TZVP | -191.8830116755; Eh |
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