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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-2021N1+_T_TZVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2TZVP-
thumbnail.jpeg16-Mar-2021N1+_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevB.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intI_T_TZVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-
thumbnail.jpeg16-Mar-20213tsII_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213tsI_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intII_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg16-Mar-20213intI_T_SVPSchön, FlorianGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2SVP-
thumbnail.jpeg28-Aug-2021Fe_31a_1_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1777.59344272; Eh
thumbnail.jpeg28-Aug-2021Ru_oct_desorbed_2_oxo_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1860.54803096; Eh
thumbnail.jpeg28-Aug-2021Ru_oct_desorbed_1_O_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1876.55543341; Eh
Results 1-10 of 765 (Search time: 0.002 seconds).