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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Jul-2022/mo mo_8Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6253.0807511; Eh
thumbnail.jpeg25-Jul-2022/cr cr_2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7229.3610304; Eh
thumbnail.jpeg25-Jul-2022/cr cr_4Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7229.3308705; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/doublet fe-ch3oh-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7489.1010631; Eh
thumbnail.jpeg25-Jul-2022/rh rh_1Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6295.2494398; Eh
thumbnail.jpeg25-Jul-2022/mn mn_3Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7335.8268052; Eh
thumbnail.jpeg25-Jul-2022/rh rh_3Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6295.2674374; Eh
thumbnail.jpeg25-Jul-2022/tc tc_1Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-6265.6615775; Eh
thumbnail.jpeg25-Jul-2022/fe_ch4/doublet fe-cpcm_chcl3-2Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP-7373.2918086; Eh
thumbnail.jpeg25-Jul-2022/mn mn_5Skjelstad, Bastian BjerkemGaussian; 16; ES64L-G16RevC.01Geometry optimization StructureUTPSShDEF2SVP DEF2TZVP-7335.8042215; Eh
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