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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M23Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.05413078; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M53Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.06766119; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M87Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.23845881; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 ethyleneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-78.6072974971; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M27Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2080.50224363; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M29Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2001.98242373; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M28Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.92259680; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE 2-Isopropoxy-5-nitrostyreneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-706.5283714; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE ethyleneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-78.4683525; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M36Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.89842725; Eh
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