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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg25-Jul-2022/fe_c6h12/doublet fe-cpcm_c6h12-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7373.280278; Eh
thumbnail.jpeg25-Jul-2022/ru_ch4/quartet ruoh-ch3-or-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6320.1299745; Eh
thumbnail.jpeg25-Jul-2022/cr cr_6Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7229.293114; Eh
thumbnail.jpeg25-Jul-2022/cr cr_2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7229.3610304; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/quartet feo-ch4-haa-4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7489.0150292; Eh
thumbnail.jpeg25-Jul-2022/fe fe_4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7448.5094435; Eh
thumbnail.jpeg25-Jul-2022/tc tc_7Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6265.6173338; Eh
thumbnail.jpeg25-Jul-2022/rh rh_7Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6295.2066739; Eh
Results 31-40 of 97 (Search time: 0.001 seconds).