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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/P_radicals/PCy3/PhPCy3-rad PhPCy3-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-1276.81260375; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad_TS dippf+Ph-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-3035.46445347; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad dippf+Ph-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-3035.49095192; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Me-rad dppf+Me-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-3295.85569427; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PCy3/PCy3+Ph-rad_TS PCy3+Ph-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-1276.79542441; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Me-rad_TS dppf+Me-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-3295.83083148; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Ph-rad dppf+Ph-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-3487.27335577; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh4-rad PPh4-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-1266.09022486; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-TS-cleavage dippf+Ph-TS-cleavageNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-3035.47925043; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene_radical_anion iodobenzene_radical_anionNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-527.944826608; Eh
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