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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M28Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.28114641; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M12Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7299749; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M61Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.55164928; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M46Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.94715231; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M71Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2542.25794131; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M10Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2001.98135574; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M10Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2001.4234198; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M75Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2350.67606436; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M10Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2003.43917168; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M38Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.25456162; Eh
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