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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_CF3_Cpstar II_CF3_CpstarGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1540.72597331; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/TSS28_S29 TSS28-S29García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-1394.59593581; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/TSCH_Inter TSCH_InterGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31G(D,P) LANL2DZ GENECP-1235.72092182; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/1q 1qGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-812.865797178; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET 7García, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1877.78424617; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/II_CF3_Cpstar II_CF3_Cpstar_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1541.1030281; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/TSCH_Inter TSCH_Inter_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1236.0334127; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET/1q 1q_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-813.0963155; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET 7_spbsGarcía, CristinaGaussian; 09Single point StructureRwB97XDGENECP-1878.1223505; Eh
Login required23-Mar-2020/Paper/Outputs_Inputs_CGET IGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D,P) LANL2DZ GENECP-1265.63043123; Eh
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