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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2022PW12-1eSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDGEN-4166.75946829; Eh
thumbnail.jpeg18-Mar-2022Ru(bpy)3-oxSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDGEN-1579.24909467; Eh
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