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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M32Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.03456202; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M35Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.03297650; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M67Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2519.05357547; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M52Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2080.51896652; Eh
Login required15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M17Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.50268150; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M79Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.4165354; Eh
Login required15-Oct-2021/GeomOpt_PBEPBE M66Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4716138; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 trans-stilbeneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-540.853662768; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M51Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.06838416; Eh
Login required15-Oct-2021/SP_M06L_GD3_CHCl3 M85Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2003.42503916; Eh
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