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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2024 | 4 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RB97D | DEF2SVP DEF2SVP/W06 | -13555.7643898; Eh | |||
| 26-Mar-2024 | 2Fe | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RB97D | DEF2TZVP DEF2TZVP/W06 | -13872.7787401; Eh | |||
| 26-Mar-2024 | 2 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RB97D | DEF2TZVP DEF2TZVP/W06 | -12609.4621786; Eh | |||
| 26-Mar-2024 | 1 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RB97D | DEF2TZVP DEF2TZVP/W06 | -12212.5299131; Eh | |||
| 26-Mar-2024 | 1Fe | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RB97D | DEF2TZVP DEF2TZVP/W06 | -13475.8442226; Eh | |||
| 21-Apr-2024 | 3-CO | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2207.47683822; Eh | |||
| 21-Apr-2024 | 2CO | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2094.22550385; Eh | |||
| 21-Apr-2024 | 3 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2094.24557012; Eh | |||
| 21-Apr-2024 | 2 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1980.98900423; Eh | |||
| 21-Apr-2024 | 5 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1980.96508875; Eh |
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