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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/dppf/dppf+Ph-cat dppf+Ph-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3487.14166216; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf dppfNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3256.08577627; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Me_radical Me_radicalNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-39.7493930418; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene benzeneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-231.828039430; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene_radical_anion iodobenzene_radical_anionNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-527.944826608; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene iodobenzeneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-527.938541240; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-350.083739877; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_product_4pos mXylene+Me-rad_product_4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-350.081956305; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-cat dippf+Ph-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-3035.37208318; Eh
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