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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene benzeneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-231.828039430; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene mXyleneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-310.307598694; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh3 PPh3Nelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-1034.90019720; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene 2iodomxyleneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-606.421907294; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PCy3/PhPCy3-cat PhPCy3-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-1276.69750846; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-cat dippf+Ph-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3035.37208318; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf dippfNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-2804.31692940; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Me-cat dppf+Me-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3295.72924162; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PCy3/PCy3 PCy3Nelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-1045.64786904; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Ph-cat dppf+Ph-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3487.14166216; Eh
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