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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /fe_ch4/doublet fe-cpcm_chcl3-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.2918086; Eh | ||
![]() | /fe_ch4/quartet fe-cpcm_chcl3-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.2973918; Eh | ||
![]() | /fe_ch4/sextet fe-cpcm_chcl3-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.3000708; Eh | ||
![]() | /fe_c6h12/doublet fe-cpcm_c6h12-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.280278; Eh | ||
![]() | /fe_c6h12/quartet fe-cpcm_c6h12-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.2864151; Eh | ||
![]() | /fe_c6h12/sextet fe-cpcm_c6h12-6 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -7373.2883157; Eh |
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