Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /ru_ch4/doublet ruo-ch4-haa-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1602302; Eh | |||
 | 25-Jul-2022 | /ru_ch4/quartet ruo-ch4-haa-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6320.1542401; Eh | |||
 | 25-Jul-2022 | /fe_ch4/sextet feo-ch4-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7489.0224938; 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_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/sextet feo-cpcm_c6h12-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4712518; 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 |
Results 2061-2070 of 2164 (Search time: 0.003 seconds).