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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021RhIII-H-1e_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GENECP-1339.91557929; Eh
thumbnail.jpeg30-Sep-2021TS-CO2RR_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) GENECP-1528.42346297; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1339.82312061; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp-1e_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDGENECP-
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