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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/common/phenyl_radical phenyl_radical_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-231.3478792; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-646.7976639; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-646.844466; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_TS_2pos 2iodomxylene+Me_rad_TS_2pos_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-646.7563625; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene_Iabs_TS 2iodomxylene_Iabs_TS_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-646.7575175; 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/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/Me_radical_addn/Me_radical Me_radical_tzvpNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureUMN15DEF2TZVP-39.7888613; Eh
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