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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /Fe13/Fe13F24 BS_3_S=45_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 BS_4_S=35_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 BS_2_S=55_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 HS_S=65_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 Corresponding_orbitals | Bandeira, Nuno | Orca; 3.0.3; RELEASE | B3LYP | SVP; SVP/J | - | ||
![]() | /Fe13/Fe13F24 BS_1_S=55_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 BS_7_S=5_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 BS_5_S=25_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - | ||
![]() | /Fe13/Fe13F24 BS_6_S=15_2 | Bandeira, Nuno | ADF; 2013; 01 | B3LYP | TZP | - |
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