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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2024GEOM07_TSRedEl_Ni4montilla, marcGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRBP86DEF2SVP-2837.66872423; Eh
thumbnail.jpeg28-Feb-2024GEOM04_TSRedEl_Ni3montilla, marcGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUBP86DEF2SVP-2837.85669991; Eh
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