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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2022RuIIITanwar, MayankGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06LGENECP/AUTO-2192.76986036; Eh
Login required22-Aug-2022/Gaussian 6von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1404.02223640; Eh
Login required22-Aug-2022/Gaussian 1+von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1864.01247662; Eh
Login required22-Aug-2022/Gaussian 9von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1558.22593777; Eh
Login required22-Aug-2022/Gaussian 8von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1403.28607758; Eh
Login required22-Aug-2022/Gaussian RuBPY+von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-3459.86822428; Eh
Login required22-Aug-2022/Gaussian 5von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1404.47336424; Eh
thumbnail.jpeg6-Mar-2021N5-H2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1495.46742261; Eh
thumbnail.jpeg6-Mar-2021A0Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.81336562; Eh
thumbnail.jpeg6-Mar-2021A1Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM06L6-31G* GENECP-1416.84616664; Eh
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