Browsing by Author Skjelstad, Bastian Bjerkem
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /cr cr_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7229.3610304; Eh | |||
 | 25-Jul-2022 | /cr cr_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7229.3308705; Eh | |||
 | 25-Jul-2022 | /cr cr_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7229.293114; Eh | |||
 | 25-Jul-2022 | /cr cr_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7229.2870875; Eh | |||
 | 31-Jan-2024 | /EDA C3PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
| 31-Jan-2024 | /EDA C3PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
| 31-Jan-2024 | /EDA C4PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
| 31-Jan-2024 | /EDA C4PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
 | 25-Jul-2022 | /fe fe_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4941906; Eh | |||
 | 25-Jul-2022 | /fe fe_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.5094435; Eh | |||
 | 25-Jul-2022 | /fe fe_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4720331; Eh | |||
 | 25-Jul-2022 | /fe fe_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7448.4600542; 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_c6h12 c6h12 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -235.9911438; 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 | /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 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 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 |