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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Oct-2016 | /Fe13/Fe13_oxo_CF3CO2(-) Corresponding_orbitals | Bandeira, Nuno | Orca; 3.0.3; RELEASE | Single point | DFT | SVP; SVP/J | - | ||||
21-Oct-2016 | /Fe13/Fe13F24 Corresponding_orbitals | Bandeira, Nuno | Orca; 3.0.3; RELEASE | Single point | DFT | SVP; SVP/J | - |
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