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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 18-Nov-2019 | Fe_d5h_Cp1 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Fe_d5h_f1 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Fe_d5d_f1 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Fe_d5d_Cp1 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Fe_d5d_f2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Ti_d5h_f2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Ti_d5h_Cp1 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Ti_d5h_Cp2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
![]() | 18-Nov-2019 | Ti_d5h_EDA | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | - | - | |||
![]() | 18-Nov-2019 | Ti_d5h_Cp2_EDA | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | - | - |
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- 24 Single point
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- 24 DFT