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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /ru_c6h12/quartet ruo-c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6502307; Eh | |||
 | 25-Jul-2022 | /ru_ch4/doublet ruoh-ch3-or-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1576211; Eh | |||
 | 25-Jul-2022 | /fe_ch4/sextet feo-ch4-haa-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7488.9850175; Eh | |||
 | 25-Jul-2022 | /fe_ch4/quartet feoh-ch3-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7489.0308861; Eh | |||
 | 25-Jul-2022 | /fe_c6h12 c6h11oh | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -311.2432186; Eh | |||
 | 25-Jul-2022 | /fe_ch4 ch4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -40.537112; 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/quartet feoh-c6h11-or-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4789763; Eh | |||
 | 25-Jul-2022 | /ru_c6h12/doublet ruo-c6h12-haa-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6143129; Eh | |||
 | 25-Jul-2022 | /ru_c6h12/quartet ruo-c6h12-haa-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6059182; Eh |
Results 21-30 of 104 (Search time: 0.001 seconds).