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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /fe fe_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4941906; Eh | ||
 | /fe fe_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.5094435; Eh | ||
 | /fe fe_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4720331; Eh | ||
 | /fe fe_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4600542; Eh | ||
 | /fe_c6h12/doublet feo-cpcm_c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4821327; Eh | ||
 | /fe_c6h12/quartet feo-cpcm_c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4973322; Eh | ||
 | /fe_c6h12/sextet feo-cpcm_c6h12-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4712518; Eh |
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