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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Jul-2022 | /mn mn_5 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | UTPSSh | DEF2SVP DEF2TZVP | -7335.8042215; Eh | |||
 | 25-Jul-2022 | /rh rh_3 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6295.2674374; Eh | |||
 | 25-Jul-2022 | /tc tc_3 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6265.6403662; Eh | |||
 | 25-Jul-2022 | /mo mo_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6253.1183261; Eh | |||
 | 25-Jul-2022 | /mo mo_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -6253.1252116; 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/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 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/quartet fe-ch3oh-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -7489.089405; Eh | |||
 | 25-Jul-2022 | /fe_ch4 ch3oh | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP | -115.7775885; Eh |
Results 51-60 of 97 (Search time: 0.001 seconds).