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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S5 S5_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1728.1253832; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S32 S32García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-852.141380070; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S2 S2García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1007.18188286; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/3j 3j_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1157.4241291; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S32 S32_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-852.3248739; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S2 S2_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1007.4181572; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/TS_D_Cpstar_II_III TS_D_Cpstar_II_IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDGENECP-
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/II_H_Cpstar_110 II_H_Cpstar_110García, CristinaGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDGENECP-
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