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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M36Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.25677377; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M44Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.07482431; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M48Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.29629532; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M45Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.30319094; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M46Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.30102442; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M8Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBEPBEGEN-2438.01956992; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M1Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-924.2147475; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M2Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-947.388422; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M15Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7582285; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M14Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4045138; Eh
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