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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /fe_c6h12/doublet feoh-c6h11-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4905404; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/doublet fe-cpcm_c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7373.280278; Eh | |||
 | 25-Jul-2022 | /ru_c6h12/quartet ru-c6h11oh-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6481382; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ruoh-ch3-or-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1299745; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/quartet feo-cpcm_c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4973322; Eh | |||
 | 25-Jul-2022 | /ru_c6h12/doublet ruoh-c6h11-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6261062; Eh | |||
 | 25-Jul-2022 | /ru_c6h12/doublet ruo-cpcm_c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6279.6602118; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/quartet feo-c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4983007; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/sextet feoh-c6h11-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4600163; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/quartet fe-c6h11oh-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.5502637; Eh |
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