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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-or-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4814764; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/doublet feo-c6h12-haa-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4725129; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/doublet feo-cpcm_c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4821327; Eh | |||
 | 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 feo-c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4813675; 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 | /fe_c6h12/doublet fe-c6h11oh-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.5604066; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ru-cpcm_chcl3-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6204.381534; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ru-ch3oh-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1913231; Eh | |||
 | 25-Jul-2022 | /mn mn_5 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | UTPSSh | DEF2SVP DEF2TZVP | -7335.8042215; Eh |
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