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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | /ru_ch4/doublet ruo-ch4-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.2154587; Eh | ||
![]() | /ru_ch4/doublet ruo-ch4-haa-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1602302; Eh | ||
![]() | /ru_ch4/doublet ruoh-ch3-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1657274; Eh | ||
![]() | /ru_ch4/doublet ruoh-ch3-or-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1576211; Eh | ||
![]() | /ru_ch4/doublet ru-ch3oh-2 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.2149145; Eh | ||
![]() | /ru_ch4/quartet ruo-ch4-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.2046443; Eh | ||
![]() | /ru_ch4/quartet ruo-ch4-haa-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1542401; Eh | ||
![]() | /ru_ch4/quartet ruoh-ch3-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1652997; Eh | ||
![]() | /ru_ch4/quartet ruoh-ch3-or-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1299745; Eh | ||
![]() | /ru_ch4/quartet ru-ch3oh-4 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | UTPSSh | DEF2SVP DEF2TZVP | -6320.1913231; Eh |
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