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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Aug-2020DFT-Small-system-catalystFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-1708.16459222; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-FullFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-2323.49509920; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-615.308266495; Eh
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