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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Nov-2019 | Complex_7_HS_s12h | Vlahovic, Filip | ADF; 2013; 01 | Single point Quild | DFT | TZ2P | - | |||
 | 18-Nov-2019 | Fe_d5d_Cp2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
 | 18-Nov-2019 | Fe_d5d_EDA | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | - | - | |||
 | 18-Nov-2019 | Fe_d5h_f2 | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | TZP | - | |||
 | 18-Nov-2019 | Fe_d5d_Cp2_EDA | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | - | - | |||
 | 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 | Ti(P5)22-_D5h | Vlahovic, Filip | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -2.33746071; Eh | |||
 | 18-Nov-2019 | Fe(Cp)2-_D5h | Vlahovic, Filip | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -4.97078216; Eh | |||
 | 18-Nov-2019 | Fe(Cp)2-_D5d | Vlahovic, Filip | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -4.96936250; Eh |
Results 31-40 of 112 (Search time: 0.0 seconds).