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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_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 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/quartet feo-c6h12-haa-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.4662143; Eh | |||
 | 25-Jul-2022 | /fe_ch4/quartet feoh-ch3-or-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7489.0195444; Eh | |||
 | 25-Jul-2022 | /ru_ch4/doublet ru-ch3oh-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.2149145; Eh | |||
 | 25-Jul-2022 | /fe_ch4 ch3oh | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -115.7775885; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/quartet fe-cpcm_c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7373.2864151; Eh | |||
 | 25-Jul-2022 | /fe_c6h12/sextet fe-c6h11oh-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7684.513414; Eh | |||
 | 25-Jul-2022 | /fe_ch4/sextet feoh-ch3-or-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7489.0110998; Eh | |||
 | 25-Jul-2022 | /ru_ch4/doublet ruo-ch4-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.2154587; Eh |
Results 2041-2050 of 2164 (Search time: 0.003 seconds).