Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /cr cr_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7229.3610304; Eh | ||
 | /cr cr_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7229.3308705; Eh | ||
 | /cr cr_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7229.293114; Eh | ||
 | /cr cr_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7229.2870875; Eh | ||
 | /mn mn_1 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7335.8154923; Eh | ||
 | /mn mn_3 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7335.8268052; Eh | ||
 | /mn mn_5 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7335.8042215; Eh | ||
 | /mn mn_7 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7335.7625316; Eh | ||
 | /fe fe_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4941906; Eh | ||
 | /fe fe_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.5094435; Eh | ||
 | /fe fe_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4720331; Eh | ||
 | /fe fe_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7448.4600542; Eh | ||
 | /mo mo_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6253.1252116; Eh | ||
 | /mo mo_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6253.1183261; Eh | ||
 | /mo mo_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6253.0852389; Eh | ||
 | /mo mo_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6253.0807511; Eh | ||
 | /tc tc_1 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6265.6615775; Eh | ||
 | /tc tc_3 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6265.6403662; Eh | ||
 | /tc tc_5 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6265.6384374; Eh | ||
 | /tc tc_7 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6265.6173338; Eh | ||
 | /ru ru_2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6279.6722308; Eh | ||
 | /ru ru_4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6279.6621366; Eh | ||
 | /ru ru_6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6279.6347168; Eh | ||
 | /ru ru_8 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6279.5833184; Eh | ||
 | /rh rh_1 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6295.2494398; Eh |
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