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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M52Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2080.51896652; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M71Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2542.25794131; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M69Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2542.25648908; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M31Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2057.28185315; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M25Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.91898058; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M9Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1980.18520976; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M3Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-757.097999822; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M20Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2058.83446596; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M18Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.27548684; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M19Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.27653786; Eh
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