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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_tacn2 c2_1a_bp_d3_tzvp_opt | Mariusz, Radon | TURBOMOLE; 6.6 | Geometry optimization Minimum | DFT | def2-TZVP | -2067.778703342; Eh |
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