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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M68Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2542.25694844; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M55Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4214937; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M68Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.4501743; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M12Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2057.30562035; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M43Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.52538161; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M25Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4302385; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M80Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2542.25573069; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M63Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.97232626; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M8Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBEPBEGEN-2438.01956992; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M24Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.05512933; Eh
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