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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1885.3511315; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/III_OMe_Cpstar III_OMe_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1318.5641385; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/1p 1p_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-515.3594521; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1408.5041016; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III/NBO TS_NO2_Cpstar_II_III_NBOGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1408.169919; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/NBO V_NBOGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1512.549643; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1769.2040821; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S14 S14_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-984.1425614; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1301.4129495; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/2d 2d_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-616.5227025; Eh
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