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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2023/HFIP_FES/TS2_hfip TS2_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN156-31+G(D,P) SDD GENECP-2543.48071249; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/TS1_hfip TS1_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN156-31+G(D,P) SDD GENECP-1870.82215023; Eh
thumbnail.jpeg9-Jun-2023/DCM_FES/TS1_dcm TS1_opt+freq_dcmNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN156-31+G(D,P) SDD GENECP-1870.84554775; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/TS3_hfip TS3_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRMN156-31+G(D,P) SDD GENECP-2660.00869505; 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/mXylene+Me-rad_TS4pos mXylene+Me-rad_TS4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-350.042470751; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_TS2pos mXylene+Me-rad_TS2posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-350.044607696; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene+Me-rad_TS5pos mXylene+Me-rad_TS5posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-350.040118729; 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/Me_radical_addn/2iodomxylene_Iabs_TS 2iodomxylene_Iabs_TSNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUMN15LDEF2SVP-646.154863109; Eh
Results 1-10 of 19 (Search time: 0.001 seconds).