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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M88Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureUPBEPBEGENECP-1132.61903668; 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
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