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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Jul-2022/fe_c6h12/quartet feoh-c6h11-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4907773; Eh
thumbnail.jpeg25-Jul-2022/ru_c6h12/doublet ruo-c6h12-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6515.6662821; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/sextet fe-cpcm_chcl3-6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7373.3000708; Eh
thumbnail.jpeg25-Jul-2022/ru_ch4/doublet ruo-ch4-haa-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6320.1602302; Eh
thumbnail.jpeg25-Jul-2022/ru_ch4/quartet ruo-ch4-haa-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6320.1542401; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/sextet feo-ch4-6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7489.0224938; Eh
thumbnail.jpeg25-Jul-2022/ru_ch4/quartet ruo-ch4-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6320.2046443; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/doublet feo-c6h12-haa-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4725129; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/doublet feo-cpcm_c6h12-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7448.4821327; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/sextet feo-cpcm_c6h12-6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7448.4712518; Eh
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