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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Feb-2019 | /fe_acac2trien c2_6a_bp_d3_tzvp_acetone_opt | Mariusz, Radon | - | Geometry optimization | U-DFT | def2-TZVP | -2260.431783493; Eh | |||
 | 1-Feb-2019 | /fe_en3 doubl_bp_d3_tzvp_opt | Mariusz, Radon | TURBOMOLE; 6.5 | Geometry optimization Minimum | U-DFT | def2-TZVP | -1834.950644957; Eh |
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