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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2023/HFIP_FES/HFIP hfip_spNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-789.5039685; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/HFIP hfip2_spNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1579.0209923; Eh
thumbnail.jpeg9-Jun-2023/DCM_FES/G_AuIPrpropyne AuIPrpropyne_sp_dcmNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1411.0605785; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/propyne propyne_spNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-116.544726; 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/G_AuIPrpropyne AuIPrpropyne_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1411.0366815; 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_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-2660.8585556; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/Cl Cl_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-460.285485806; Eh
thumbnail.jpeg9-Jun-2023/HFIP_FES/C2_AuClIPr_HFIP AuClIPr_2HFIP_sp_hfipNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-3333.8458709; Eh
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