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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /mo mo_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6253.0852389; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/quartet feoh-c6h11-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4907773; 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 | /ru_c6h12/doublet ru-c6h11oh-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6515.6750872; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/sextet feo-c6h12-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4610198; Eh | |||
 | 25-Jul-2022 | /fe_ch4/sextet fe-cpcm_chcl3-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7373.3000708; Eh | |||
 | 25-Jul-2022 | /ru_ch4/doublet ruoh-ch3-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1657274; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ruoh-ch3-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1652997; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ruo-ch4-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.2046443; Eh | |||
 | 25-Jul-2022 | /fe_ch4/doublet fe-cpcm_chcl3-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7373.2918086; Eh |
Results 41-50 of 97 (Search time: 0.0 seconds).