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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3037.0105251; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Ph-rad dppf+Ph-rad_tzvp-as-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3488.9995191; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Ph-rad_TS dppf+Ph-rad_TS_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3489.0731668; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Me-rad_TS dppf+Me-rad_TS_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3297.5151141; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Me-rad dppf+Me-rad_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3297.5364212; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dppf/dppf+Ph-rad dppf+Ph-rad_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3489.1043882; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvp-as-singletNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-528.3436564; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-TS-cleavage dippf+Ph-TS-cleavage_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3036.9987416; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PCy3/PhPCy3_TS_cleavage PhPCy3_TS_cleavage_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-1277.7532333; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-cat dippf+Ph-cat_tzvp-as-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3037.0076917; Eh
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