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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-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 dppf_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15DEF2TZVP-3257.7291348; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene benzene_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15DEF2TZVP-232.0336578; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Me_radical Me_radical_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-39.7888613; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene iodobenzene_tzvp-as-radanionNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-528.4348363; Eh
thumbnail.jpeg2-Sep-2023/common/iodobenzene iodobenzene_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15DEF2TZVP-528.4234603; 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
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