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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/common/iodobenzene iodobenzene_tzvp-as-radanionNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-528.4348363; 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/common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-528.4785337; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-350.4070556; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_product_4pos mXylene+Me-rad_product_4pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-350.4058522; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_TS5pos mXylene+Me-rad_TS5pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-350.3628763; 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
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvp-as-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3036.9153749; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad_TS dippf+Ph-rad_TS_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3036.9855412; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-3037.0105251; Eh
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