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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS24_S25 TSS24-S25_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1511.005021; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S6 S6_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-880.0937415; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TS_Cl_Cpstar_II_III TS_Cl_Cpstar_II_III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1663.6221107; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSII_III/NBO TSII_III_NBOGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1007.1650585; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S20 S20_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1959.8369719; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1164.7029069; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/TS_D_Cp_II_III_110 TS_D_Cp_II_III_110_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-968.0826384; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/TS_H_Cpstar_II_III TS_H_Cpstar_II_IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDGENECP-
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cpstar_II_III III_D_Cpstar_II_IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDGENECP-
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cp_110 III_D_Cp_110_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-968.1193499; Eh
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