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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/S3 S3García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1007.17853786; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/VI_prima VI_prima_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1473.6270403; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/VI_prima/NBO VI_primaGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1473.3254834; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/VI VI_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1887.1400507; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/S3 S3_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1007.413957; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/1j_d5_110 1j_d5_110García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-436.615062001; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/2_110 2_110García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-734.344017649; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/TS_D_Cpstar_II_III TS_D_Cpstar_II_III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1164.7029069; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/III_H_Cpstar_110 III_H_Cpstar_110_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1164.7319733; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/KIE_110/II_H_Cpstar_110 II_H_Cpstar_110_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1164.7349345; Eh
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