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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/1r 1rGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-575.125231862; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S10 S10García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1688.47964934; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/III_NO2_Cpstar III_NO2_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1408.20143269; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/TSVIprima_S34 TSVIprima_S34García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-1473.31366354; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S26 S26García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1885.00364195; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/III_NO2_Cpstar III_NO2_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1408.5340457; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/S17 S17_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1301.4451425; Eh
thumbnail.jpeg23-Mar-2020/Paper/Outputs_Inputs_CGET/V_prima/NBO V_primaGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1099.0800776; Eh
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