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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
Fe(Cp)2-_D5h | Vlahovic, Filip | ADF; 2013; 01 | DFT | TZP | -4.97078216; Eh | |||
Ti(P5)22-_D5h | Vlahovic, Filip | ADF; 2013; 01 | DFT | TZP | -2.33746071; Eh | |||
Fe(Cp)2-_D5d | Vlahovic, Filip | ADF; 2013; 01 | DFT | TZP | -4.96936250; Eh | |||
Ti(P5)22-_D5d | Vlahovic, Filip | ADF; 2013; 01 | DFT | TZP | -2.32792638; Eh |
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