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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2023/HFIP_FES/B_AuIPrpropyne+Cl AuIPrpropyne+Cl_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1871.3331698; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/HFIP hfip3_opt+freqNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN156-31+G(D,P) GENECP-2367.51409698; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/1_AuClIPr AuClIPr_spNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1754.7965997; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/HFIP hfip3_spNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-2368.5392134; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/E_AuClIPrHFIP+propyne AuClIPrHFIP+propyne_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN156-31+G(D,P) SDD GENECP-2660.02643976; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/F_AuIPrpropyne+ClHFIP AuIPrpropyne+ClHFIP_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN156-31+G(D,P) SDD GENECP-2660.01808111; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/G_AuIPrpropyne AuIPrpropyne_opt+freq_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN156-31+G(D,P) SDD GENECP-1410.58563131; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/E_AuClIPrHFIP+propyne AuClIPrHFIP+propyne_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-2660.8795248; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/F_AuIPrpropyne+ClHFIP AuIPrpropyne+ClHFIP_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-2660.8693466; 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
Results 681-690 of 706 (Search time: 0.001 seconds).