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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Aug-2020SiW11Fe-NHOHLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.89853720; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS2Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4223.85102890; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-2NOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4398.25937192; Eh
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