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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Jul-2022/fe_c6h12/doublet feoh-c6h11-or-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4814764; Eh
thumbnail.jpeg25-Jul-2022/ru_c6h12/quartet ruoh-c6h11-or-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6515.588326; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/quartet feoh-ch3-or-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7489.0195444; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/sextet feoh-ch3-6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7489.0169575; Eh
thumbnail.jpeg25-Jul-2022/ru_ch4/quartet ru-ch3oh-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6320.1913231; Eh
thumbnail.jpeg25-Jul-2022/cr cr_8Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7229.2870875; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/sextet feo-c6h12-haa-6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4339939; Eh
thumbnail.jpeg25-Jul-2022/ru_c6h12/doublet ruo-cpcm_c6h12-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6279.6602118; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/quartet feo-c6h12-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4983007; Eh
thumbnail.jpeg25-Jul-2022/fe_c6h12/doublet feoh-c6h11-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7684.4905404; Eh
Results 71-80 of 97 (Search time: 0.001 seconds).