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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M72Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.9939026; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M71Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.4979157; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M83Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.988647; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M82Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.928354; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M84Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.9256184; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 2-Isopropoxy-5-nitrostyreneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-706.832155113; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M88Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUHF; UPBEPBEGENECP GEN-1132.4599435; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 ethyleneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-78.5076657138; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 styreneOcchipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-309.384009805; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M15Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-2057.30173086; Eh
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