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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M33Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-2079.91535337; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 trans-stilbeneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-540.260654224; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M8Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2438.73718254; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M7Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2630.32967777; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M6Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2438.74820463; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M19Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.91794058; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M43Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.52538161; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M46Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.94715231; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M48Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.94145086; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M50Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.51370089; Eh
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