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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_Cl_Cpstar II_Cl_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1663.6552033; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1302.98609836; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1303.289261; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_H_Cp II_H_CpGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-967.885749345; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_H_Cp II_H_Cp_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-968.112706; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_H_CPstar II_H_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1203.78216141; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_H_CPstar II_H_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1204.0511062; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_Me_Cpstar II_Me_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1243.09173867; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_Me_Cpstar II_Me_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1243.3679806; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_NO2_Cpstar II_NO2_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1408.20271049; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_NO2_Cpstar II_NO2_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1408.5367725; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_OMe_Cpstar II_OMe_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1318.27268236; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_OMe_Cpstar II_OMe_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1318.5726727; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III IIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1007.20332418; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III III_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1007.4349457; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III_Br_Cpstar III_Br_Cpstar_moreGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1216.34961256; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III_Br_Cpstar III_Br_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1216.6171917; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III_CF3_Cpstar III_CF3_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1540.72203024; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III_CF3_Cpstar III_CF3_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1541.0977001; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/III_Cl_Cpstar III_Cl_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1663.34987970; Eh