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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh3+Ph-rad_TS PPh3+Ph-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-1266.05023127; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh4-rad PPh4-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-1266.09022486; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_productNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-271.598100734; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-271.560396688; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.193240369; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_4pos 2iodomxylene+Me_rad_prod_4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.194303980; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_TS_5pos 2iodomxylene+Me_rad_TS_5posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-646.154894134; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-646.156108412; Eh
thumbnail.jpeg2-Sep-2023/common/phenyl_radical phenyl_radicalNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-231.147647037; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.247742368; Eh
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