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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Aug-2020SiW11Fe-TS2-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4300.22548870; Eh
thumbnail.jpeg18-Aug-2020SiW11Fe-TS1-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4299.62079875; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-TS1-HSMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4345.46237996; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-TS1-PCMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4269.08859174; Eh
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